UCSF

ZINC35433887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 2.23 5.94 -12.03 1 4 0 41 233.315 4
Mid Mid (pH 6-8) 2.23 6.35 -24.5 2 4 1 42 234.323 4
Mid Mid (pH 6-8) 2.23 6.22 -30.17 2 4 1 42 234.323 4

Activity (Go SEA)

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