UCSF

ZINC22037997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 0.42 -1.02 -7.27 2 4 0 47 250.342 5
Mid Mid (pH 6-8) 0.42 1.38 -36.54 3 4 1 48 251.35 5
Mid Mid (pH 6-8) 0.42 1.34 -42.2 3 4 1 48 251.35 5

Activity (Go SEA)

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