UCSF

ZINC31973115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 No

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Annotations

Vendors

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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) 2.35 9.1 -60.39 1 6 0 77 336.347 3
Mid Mid (pH 6-8) 2.35 8.69 -59.74 0 6 -1 76 335.339 3

Activity (Go SEA)

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