UCSF

ZINC37049287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.52 5.49 -94.4 4 4 2 45 293.455 8
Mid Mid (pH 6-8) 1.52 5.48 -87.54 4 4 2 45 293.455 8
Mid Mid (pH 6-8) 1.52 3.22 -44.14 3 4 1 43 292.447 8

Activity (Go SEA)

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