UCSF

ZINC36194122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) -0.60 2.21 -5.24 3 4 0 58 231.299 1
Mid Mid (pH 6-8) -0.60 2.53 -43.92 4 4 1 60 232.307 1

Activity (Go SEA)

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