UCSF

ZINC00246961

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 Yes

Other Names:

MFCD05241232

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) 3.64 0.38 -10.06 0 4 0 36 296.37 6
Mid Mid (pH 6-8) 0.23 0.54 -28.58 1 4 1 38 297.378 6

Activity (Go SEA)

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