UCSF

ZINC49805513

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 13 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) 1.02 3.9 -6.42 2 3 0 52 179.219 4
Mid Mid (pH 6-8) 1.02 4.31 -46.12 3 3 1 54 180.227 4

Activity (Go SEA)

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