UCSF

ZINC39937905

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 14 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) 1.11 3.81 -33.91 2 4 1 50 214.314 3
Hi High (pH 8-9.5) 1.11 1.57 -8.35 1 4 0 49 213.306 3
Hi High (pH 8-9.5) 1.56 -0.29 -44.9 0 4 -1 52 212.298 3
Mid Mid (pH 6-8) 1.11 3.43 -42.13 2 4 1 50 214.314 3

Activity (Go SEA)

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