UCSF

ZINC06590103

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 23 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) 2.18 9.08 -60.38 1 6 -1 87 328.373 6
Lo Low (pH 4.5-6) 2.18 7.11 -22.78 2 6 0 84 329.381 6

Activity (Go SEA)

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