UCSF

ZINC34510793

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) 1.71 5.31 -5.71 1 2 0 19 218.275 1
Mid Mid (pH 6-8) 1.71 7.55 -39.15 2 2 1 20 219.283 1

Activity (Go SEA)

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