UCSF

ZINC20095704

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 4.43 9.8 -53.58 2 1 1 17 280.313 4
Mid Mid (pH 6-8) 4.43 8.85 -7.89 1 1 0 12 279.305 4

Activity (Go SEA)

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