UCSF

ZINC36680672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 32 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) 3.07 5.96 -18.06 1 13 0 178 443.372 9
Mid Mid (pH 6-8) 3.13 2.84 -41.45 0 13 -1 184 442.364 9

Activity (Go SEA)

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