UCSF

ZINC05700567

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 10 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) -1.12 0.38 -180.55 7 3 3 61 148.274 7
Hi High (pH 8-9.5) -1.12 -1.44 -37.43 5 3 1 55 146.258 7
Mid Mid (pH 6-8) -1.12 -0.97 -87.16 6 3 2 56 147.266 7

Activity (Go SEA)

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