UCSF

ZINC02360853

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 30 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) 6.73 15.74 -13.92 0 4 0 43 437.305 3
Lo Low (pH 4.5-6) 6.73 16.07 -42.65 1 4 1 45 438.313 3

Activity (Go SEA)

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