UCSF

ZINC42063326

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 15 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) 1.59 4.21 -5.77 1 3 0 32 204.273 2
Mid Mid (pH 6-8) 1.59 5.31 -34.26 2 3 1 37 205.281 2
Mid Mid (pH 6-8) 1.59 4.17 -7.29 1 3 0 32 204.273 2
Mid Mid (pH 6-8) 1.59 5.31 -34.2 2 3 1 37 205.281 2

Activity (Go SEA)

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