UCSF

ZINC15011703

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 25 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) 4.00 5.55 -13.27 2 6 0 84 356.403 4
Ref Reference (pH 7) 3.51 5 -42.9 1 6 -1 83 355.395 5
Hi High (pH 8-9.5) 4.45 3.35 -47.82 1 6 -1 87 355.395 4
Hi High (pH 8-9.5) 4.45 4.02 -46.2 1 6 -1 87 355.395 4

Activity (Go SEA)

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