UCSF

ZINC34516710

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 0.71 11.02 -95.02 2 6 0 82 391.418 5
Mid Mid (pH 6-8) 0.71 9 -52.18 3 6 1 79 392.426 5

Activity (Go SEA)

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