UCSF

ZINC36891818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 Yes

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) 0.72 4.72 -35.55 2 4 1 43 215.317 6
Lo Low (pH 4.5-6) 0.72 5.9 -106.18 3 4 2 47 216.325 6
Lo Low (pH 4.5-6) 0.72 3.66 -43.73 2 4 1 46 215.317 6

Activity (Go SEA)

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