UCSF

ZINC36614892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 29 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) 3.29 8.43 -50.3 1 6 1 60 429.557 4
Mid Mid (pH 6-8) 3.29 7.05 -10.72 0 6 0 58 428.549 4

Activity (Go SEA)

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