UCSF

ZINC20784887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 26 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) 3.04 7.71 -35.51 2 4 1 37 355.502 8
Mid Mid (pH 6-8) 3.04 7.56 -35.37 2 4 1 37 355.502 8
Mid Mid (pH 6-8) 3.04 5.33 -7.02 1 4 0 36 354.494 8

Activity (Go SEA)

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