UCSF

ZINC43687231

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) 3.18 10.03 -96.78 2 2 2 9 319.312 4
Mid Mid (pH 6-8) 3.18 7.77 -35.96 1 2 1 8 318.304 4

Activity (Go SEA)

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