UCSF

ZINC02103269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 24 Yes

Other Names:

MFCD02607170

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) 5.31 3.44 -5.99 0 2 0 36 368.811 4
Lo Low (pH 4.5-6) 5.31 3.54 -33.91 1 2 1 37 369.819 4

Activity (Go SEA)

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