UCSF

ZINC41612248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 14 Yes

Other Names:

MFCD16477224

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) 1.78 6 -43.6 2 2 1 34 194.229 4
Mid Mid (pH 6-8) 1.78 4.72 -6.73 1 2 0 29 193.221 4

Activity (Go SEA)

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