UCSF

ZINC02579892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 Yes

Other Names:

MFCD02260898

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) 4.35 10.69 -47.38 0 3 -1 57 359.183 8
Lo Low (pH 4.5-6) 4.35 8.71 -9.81 1 3 0 54 360.191 8

Activity (Go SEA)

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