UCSF

ZINC13508057

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 28 No

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -9.05 -462.67 5 18 -5 322 495.032 8
Ref Reference (pH 7) -5.07 -9.05 -475.4 5 18 -5 322 495.032 8
Mid Mid (pH 6-8) -5.07 -6.76 -836.85 3 18 -7 327 493.016 8
Mid Mid (pH 6-8) -5.07 -6.76 -870.35 3 18 -7 327 493.016 8
Mid Mid (pH 6-8) -5.07 -5.62 -1066.99 2 18 -8 330 492.008 8
Mid Mid (pH 6-8) -5.07 -6.76 -827.5 3 18 -7 327 493.016 8
Mid Mid (pH 6-8) -5.07 -6.76 -858.53 3 18 -7 327 493.016 8
Lo Low (pH 4.5-6) -5.07 -10.2 -311.45 6 18 -4 319 496.04 8
Lo Low (pH 4.5-6) -5.07 -10.2 -311.49 6 18 -4 319 496.04 8
Lo Low (pH 4.5-6) -5.07 -9.05 -484.53 5 18 -5 322 495.032 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )