UCSF

ZINC01272725

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 22 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) 0.78 3.66 -16.57 1 6 0 79 317.37 4
Hi High (pH 8-9.5) 0.78 3.74 -47.95 0 6 -1 81 316.362 4
Lo Low (pH 4.5-6) 0.78 3.95 -44.69 2 6 1 81 318.378 4

Activity (Go SEA)

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