UCSF

ZINC34972161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 3.19 7.04 -41.89 2 4 -1 57 233.32 2
Mid Mid (pH 6-8) 2.46 7.07 -8.3 3 4 0 60 234.328 2

Activity (Go SEA)

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