UCSF

ZINC00542132

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 1.58 5.96 -17.92 1 6 0 65 313.357 4
Lo Low (pH 4.5-6) 1.58 6.85 -32.91 2 6 1 67 314.365 4

Activity (Go SEA)

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