UCSF

ZINC38000680

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 1.73 2.25 -36.77 5 5 1 80 294.419 8
Hi High (pH 8-9.5) 1.73 0.14 -8.35 4 5 0 79 293.411 8
Hi High (pH 8-9.5) 1.73 1.25 -41.89 5 5 1 83 294.419 8

Activity (Go SEA)

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