UCSF

ZINC04168862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 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) 5.60 7.96 -7.86 1 2 0 25 304.315 2
Lo Low (pH 4.5-6) 5.60 8.28 -21.92 2 2 1 26 305.323 2

Activity (Go SEA)

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