UCSF

ZINC04737451

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 22 No

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) 2.25 2.42 -12.84 3 6 0 95 295.298 2
Hi High (pH 8-9.5) 2.71 0.68 -48.14 2 6 -1 98 294.29 2
Hi High (pH 8-9.5) 2.71 0.36 -59.29 2 6 -1 98 294.29 2

Activity (Go SEA)

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