UCSF

ZINC05045395

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 31 No

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Annotations

None

Vendors

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) 1.05 5.55 -53.44 2 8 1 93 424.477 7
Mid Mid (pH 6-8) 0.47 6.21 -64.26 1 8 1 90 424.477 7
Lo Low (pH 4.5-6) 1.50 5.52 -125.98 3 8 2 95 425.485 6
Lo Low (pH 4.5-6) 0.47 6.5 -127.86 2 8 2 91 425.485 7

Activity (Go SEA)

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