UCSF

ZINC28957348

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 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) 3.59 4.78 -2.59 0 3 0 22 289.297 5
Mid Mid (pH 6-8) 3.59 7.17 -40.72 1 3 1 23 290.305 5

Activity (Go SEA)

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