UCSF

ZINC19805204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 16 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) 3.37 5.84 -44.68 2 2 1 20 262.204 5
Hi High (pH 8-9.5) 3.37 4.55 -2.11 1 2 0 15 261.196 5
Mid Mid (pH 6-8) 3.37 8.13 -122.71 3 2 2 21 263.212 5
Mid Mid (pH 6-8) 3.37 7.1 -37.81 2 2 1 16 262.204 5

Activity (Go SEA)

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