UCSF

ZINC05244417

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 24 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) 3.93 4.53 -10.88 3 6 0 95 331.416 8
Hi High (pH 8-9.5) 4.39 2.78 -46.84 2 6 -1 98 330.408 8
Hi High (pH 8-9.5) 4.84 3 -49.69 2 6 -1 101 330.408 8

Activity (Go SEA)

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