UCSF

ZINC31891173

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 No

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) 1.36 6.45 -44.62 4 6 1 102 205.197 2
Mid Mid (pH 6-8) 1.36 5.89 -14.11 3 6 0 101 204.189 2

Activity (Go SEA)

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