UCSF

ZINC37228653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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 7.59 -44.39 2 2 1 20 302.269 6
Mid Mid (pH 6-8) 3.37 10.05 -121.7 3 2 2 21 303.277 6
Mid Mid (pH 6-8) 3.37 8.85 -37.88 2 2 1 16 302.269 6

Activity (Go SEA)

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