UCSF

ZINC34474935

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 19 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) 2.56 9.98 -39.49 1 2 1 17 251.353 3
Mid Mid (pH 6-8) 2.56 7.69 -5.89 0 2 0 16 250.345 3

Activity (Go SEA)

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