UCSF

ZINC29464048

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 22 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) 2.30 1.28 -25.23 2 6 0 92 294.314 2
Hi High (pH 8-9.5) 3.22 -0.17 -96.73 0 6 -2 98 292.298 2
Mid Mid (pH 6-8) 2.76 0.56 -58.39 1 6 -1 95 293.306 2

Activity (Go SEA)

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