UCSF

ZINC29042169

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 36 No

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) -0.44 1.38 -67.26 4 12 1 152 503.484 3
Hi High (pH 8-9.5) -0.44 -0.78 -24.24 3 12 0 151 502.476 3

Activity (Go SEA)

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