UCSF

ZINC34928618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 0.38 7.96 -27.87 3 5 0 85 271.32 2
Mid Mid (pH 6-8) 0.38 7.92 -32.02 3 5 0 85 271.32 2
Lo Low (pH 4.5-6) 0.38 8.38 -71.6 4 5 1 87 272.328 2

Activity (Go SEA)

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