UCSF

ZINC00460747

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 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) 1.82 6.88 -32.4 1 4 1 38 233.291 5
Mid Mid (pH 6-8) 1.82 6.41 -8.73 0 4 0 36 232.283 5

Activity (Go SEA)

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