UCSF

ZINC40676990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 28 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) 0.38 11.09 -96.49 1 7 0 79 389.427 4
Mid Mid (pH 6-8) -2.37 9.21 -75.02 2 7 1 82 390.435 3

Activity (Go SEA)

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