UCSF

ZINC19745412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 30 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) 2.85 8.95 -41.4 3 5 1 59 406.55 12
Mid Mid (pH 6-8) 2.85 9.39 -78.62 4 5 2 60 407.558 12

Activity (Go SEA)

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