UCSF

ZINC22455522

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.74 9.84 -122.16 3 3 2 30 292.467 8
Mid Mid (pH 6-8) 3.74 8.7 -37.03 2 3 1 26 291.459 8

Activity (Go SEA)

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