UCSF

ZINC38015164

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) -1.83 0.78 -104.61 1 8 -2 129 239.187 4
Mid Mid (pH 6-8) -2.29 0.93 -40.3 2 8 -1 126 240.195 4

Activity (Go SEA)

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