UCSF

ZINC35287281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 18 Yes

Other Names:

MFCD11550895

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) 3.02 6.49 -48.01 3 3 1 46 261.37 5
Hi High (pH 8-9.5) 3.02 5.15 -10.33 2 3 0 41 260.362 5

Activity (Go SEA)

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