UCSF

ZINC29924953

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 18 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) 2.12 6.16 -9.85 1 4 0 45 247.342 4
Lo Low (pH 4.5-6) 2.12 6.44 -40.67 2 4 1 46 248.35 4

Activity (Go SEA)

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