UCSF

ZINC04890634

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 15 Yes

Other Names:

MFCD19104837

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) 0.65 1.93 -5.78 1 3 0 41 206.22 1
Lo Low (pH 4.5-6) 0.65 2.74 -33.64 2 3 1 43 207.228 1

Activity (Go SEA)

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