UCSF

ZINC34571104

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.57 0.25 -42.44 5 4 1 80 175.252 4
Hi High (pH 8-9.5) -0.57 -0.03 -2.7 4 4 0 78 174.244 4

Activity (Go SEA)

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