UCSF

ZINC04456894

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 20 No

Other Names:

MFCD00642828

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) 1.88 8.89 -12.15 0 3 0 35 298.392 2
Lo Low (pH 4.5-6) 1.88 9.19 -43.72 1 3 1 36 299.4 2

Activity (Go SEA)

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