UCSF

ZINC41043270

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 10 Yes

Other Names:

MFCD12796595

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) 0.92 3.61 -107.25 4 2 2 33 144.262 5
Mid Mid (pH 6-8) 0.92 2.41 -33.47 3 2 1 29 143.254 5
Mid Mid (pH 6-8) 0.92 2.31 -34.39 3 2 1 29 143.254 5

Activity (Go SEA)

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