UCSF

ZINC41680197

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) -0.38 -0.22 -94.65 7 6 2 104 246.355 8
Hi High (pH 8-9.5) -0.20 -2.39 -34.04 5 6 0 109 244.339 8
Hi High (pH 8-9.5) -0.38 -1.2 -44.11 6 6 1 103 245.347 8
Mid Mid (pH 6-8) -0.20 -1.94 -51.04 6 6 1 111 245.347 8

Activity (Go SEA)

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