UCSF

ZINC34526712

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 3.61 4.86 -26.56 2 6 0 84 355.419 6
Hi High (pH 8-9.5) 3.61 4.39 -46.24 1 6 -1 82 354.411 6
Lo Low (pH 4.5-6) 3.61 4.45 -10.82 2 6 0 80 355.419 6

Activity (Go SEA)

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