UCSF

ZINC05357469

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 16 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) -4.44 2.97 -68.05 6 6 0 136 268.36 7
Hi High (pH 8-9.5) -4.44 2.57 -89.15 4 6 -2 132 266.344 7
Hi High (pH 8-9.5) -4.44 2.9 -61.09 5 6 -1 134 267.352 7

Activity (Go SEA)

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