UCSF

ZINC20140608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 1.35 5.7 -35.13 2 3 1 29 234.367 4
Mid Mid (pH 6-8) 1.35 4.74 -44.01 2 3 1 33 234.367 4

Activity (Go SEA)

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