UCSF

ZINC34041009

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 22 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) 6.42 15.49 -43.85 0 2 -1 40 303.466 14
Lo Low (pH 4.5-6) 6.42 13.51 -5.68 1 2 0 37 304.474 14

Activity (Go SEA)

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