UCSF

ZINC57469997

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 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) -0.16 3.22 -11.23 2 5 0 59 261.325 2
Lo Low (pH 4.5-6) -0.16 3.09 -46.93 3 5 1 60 262.333 2

Activity (Go SEA)

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