UCSF

ZINC40189461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.53 13.56 -13.03 1 6 0 65 463.622 13
Mid Mid (pH 6-8) 5.53 13.79 -35.6 2 6 1 67 464.63 13

Activity (Go SEA)

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