UCSF

ZINC39174832

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2010 17 Yes

Other Names:

MFCD09907116

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) 1.02 2.09 -49.81 3 4 1 49 235.307 3
Mid Mid (pH 6-8) 1.02 3.85 -38.56 3 4 1 49 235.307 3

Activity (Go SEA)

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