UCSF

ZINC39953675

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 20 Yes

Other Names:

MFCD09996960

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) 5.68 12.11 -46.51 0 2 -1 40 279.444 6
Lo Low (pH 4.5-6) 5.68 10.29 -4.15 1 2 0 37 280.452 6

Activity (Go SEA)

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