UCSF

ZINC39712247

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 9 Yes

Other Names:

MFCD07370014

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) 0.27 3.07 -107.51 4 2 2 33 130.235 5
Mid Mid (pH 6-8) 0.27 1.71 -33.29 3 2 1 29 129.227 5
Mid Mid (pH 6-8) 0.27 1.79 -35.31 3 2 1 29 129.227 5

Activity (Go SEA)

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