UCSF

ZINC01536435

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 18 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) 2.92 9.35 -35.32 2 3 1 39 245.346 8
Mid Mid (pH 6-8) 2.92 8.89 -9.73 1 3 0 38 244.338 8
Mid Mid (pH 6-8) 2.92 8.87 -9.22 1 3 0 38 244.338 8

Activity (Go SEA)

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