UCSF

ZINC28762429

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 20 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) 4.53 10.64 -38.74 1 2 1 8 269.412 4
Mid Mid (pH 6-8) 4.53 8.27 -3.11 0 2 0 6 268.404 4

Activity (Go SEA)

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