UCSF

ZINC19441317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 12 Yes

Other Names:

MFCD09934670

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) 0.20 1.04 -47.25 3 4 1 59 166.204 3
Hi High (pH 8-9.5) 0.20 -0.42 -10.41 2 4 0 54 165.196 3

Activity (Go SEA)

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