UCSF

ZINC19745454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 26 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) 2.34 10.71 -101.28 2 4 2 25 358.574 6
Hi High (pH 8-9.5) 2.34 8.83 -35.99 1 4 1 24 357.566 6
Lo Low (pH 4.5-6) 2.34 10.86 -85.59 2 4 2 25 358.574 6

Activity (Go SEA)

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