UCSF

ZINC07053502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 24 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) 3.99 6.94 -9.05 1 5 0 59 348.468 8
Hi High (pH 8-9.5) 3.99 6.98 -47.65 0 5 -1 61 347.46 8
Lo Low (pH 4.5-6) 3.99 7.03 -49.65 2 5 0 60 349.476 8

Activity (Go SEA)

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