UCSF

ZINC37996392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 0.86 4.34 -105.73 4 3 2 41 210.321 6
Hi High (pH 8-9.5) 0.86 3.98 -30.39 3 3 1 40 209.313 6
Hi High (pH 8-9.5) 0.86 2.35 -42.82 3 3 1 40 209.313 6

Activity (Go SEA)

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