UCSF

ZINC69491915

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 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) 0.87 6.46 -46.13 2 6 1 57 295.407 5
Hi High (pH 8-9.5) 0.87 4.31 -19.89 1 6 0 56 294.399 5

Activity (Go SEA)

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