UCSF

ZINC00870325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 28 Yes

Other Names:

MFCD02221043

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) 6.06 13.06 -13.05 0 4 0 40 403.532 3
Lo Low (pH 4.5-6) 6.06 13.51 -34.72 1 4 1 41 404.54 3

Activity (Go SEA)

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