UCSF

ZINC35882002

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 14 Yes

Other Names:

MFCD11559111

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) 2.72 7.41 -37.54 2 1 1 17 188.294 1
Mid Mid (pH 6-8) 2.72 6.57 -2.37 1 1 0 12 187.286 1

Activity (Go SEA)

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