UCSF

ZINC37101349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 6.41 10.12 -6.13 1 2 0 25 270.42 7
Mid Mid (pH 6-8) 6.41 10.47 -27.95 2 2 1 26 271.428 7

Activity (Go SEA)

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