UCSF

ZINC19506089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) -0.08 0.94 -44.34 3 4 1 51 214.333 3
Hi High (pH 8-9.5) -0.08 0.63 -7.15 2 4 0 50 213.325 3
Mid Mid (pH 6-8) -0.08 3.25 -98.09 4 4 2 52 215.341 3

Activity (Go SEA)

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