UCSF

ZINC26480910

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 9 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) 0.08 1.63 -115.24 5 2 2 44 130.235 3
Mid Mid (pH 6-8) 0.08 0.43 -42.42 4 2 1 40 129.227 3

Activity (Go SEA)

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