UCSF

ZINC19837131

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 1.32 3.18 -49.15 2 5 1 54 251.306 2
Hi High (pH 8-9.5) 1.32 1.63 -56.96 0 5 -1 56 249.29 2
Mid Mid (pH 6-8) 1.32 0.79 -13.5 1 5 0 53 250.298 2

Activity (Go SEA)

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