UCSF

ZINC35719060

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 1.60 3.85 -44.97 3 2 1 31 225.381 4
Mid Mid (pH 6-8) 1.60 5.59 -122.12 4 2 2 32 226.389 4

Activity (Go SEA)

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