UCSF

ZINC25449663

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 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) 4.57 9.18 -47.06 1 10 -1 149 494.534 7
Hi High (pH 8-9.5) 4.63 8.28 -105.69 0 10 -2 155 493.526 7
Mid Mid (pH 6-8) 4.57 9.11 -27.44 2 10 0 147 495.542 7

Activity (Go SEA)

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