UCSF

ZINC04098557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 41 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) -2.16 -14.03 -23.01 11 15 0 271 580.495 4
Hi High (pH 8-9.5) -2.16 -13.02 -71.64 10 15 -1 274 579.487 4
Hi High (pH 8-9.5) -2.16 -13.37 -61.31 10 15 -1 274 579.487 4

Activity (Go SEA)

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