UCSF

ZINC43248821

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.98 1.43 -37.79 4 3 1 51 271.45 7
Hi High (pH 8-9.5) 1.98 1.1 -3.07 3 3 0 49 270.442 7
Mid Mid (pH 6-8) 1.98 3.04 -98.89 5 3 2 52 272.458 7

Activity (Go SEA)

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