UCSF

ZINC02493279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 31 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) 4.31 11.94 -15.11 0 6 0 73 410.429 5
Lo Low (pH 4.5-6) 4.31 12.37 -33.62 1 6 1 74 411.437 5

Activity (Go SEA)

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