UCSF

ZINC37078336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) -0.17 4.13 -46.38 0 4 -1 60 158.177 4
Lo Low (pH 4.5-6) -0.17 2.15 -8.39 1 4 0 58 159.185 4

Activity (Go SEA)

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