UCSF

ZINC06774595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 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) 4.62 12.98 -9.63 1 5 0 58 422.96 9
Lo Low (pH 4.5-6) 4.62 13.53 -32.26 2 5 1 59 423.968 9

Activity (Go SEA)

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