UCSF

ZINC36776960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -0.04 6.37 -46.6 0 6 -1 86 270.268 4
Lo Low (pH 4.5-6) -0.04 6.82 -62.05 1 6 0 87 271.276 4

Activity (Go SEA)

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