UCSF

ZINC07614135

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 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) 2.70 8.83 -34.49 3 5 1 63 358.487 8
Hi High (pH 8-9.5) 2.70 6.73 -10.78 2 5 0 61 357.479 8

Activity (Go SEA)

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