UCSF

ZINC00514671

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.98 8.39 -7.43 1 2 0 29 273.763 3
Lo Low (pH 4.5-6) 4.05 6.9 -31.11 2 2 1 34 274.771 3

Activity (Go SEA)

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