UCSF

ZINC34962176

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 No

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) 2.87 4.48 -42.62 3 8 1 97 421.886 5
Mid Mid (pH 6-8) 2.87 3.87 -20.57 2 8 0 95 420.878 5

Activity (Go SEA)

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