UCSF

ZINC48632764

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 19 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) 0.59 4.63 -33.35 2 5 1 52 271.381 7
Hi High (pH 8-9.5) 0.59 3.81 -37.02 2 5 1 55 271.381 7
Mid Mid (pH 6-8) 0.59 5.98 -96.31 3 5 2 57 272.389 7

Activity (Go SEA)

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