UCSF

ZINC02704782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 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) 2.79 1.31 -13.19 0 7 0 89 404.451 3
Lo Low (pH 4.5-6) 2.79 1.42 -35.28 1 7 1 90 405.459 3

Activity (Go SEA)

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