UCSF

ZINC35636441

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 22 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) 0.53 1.29 -39.64 4 6 1 85 310.37 5
Hi High (pH 8-9.5) 0.53 0.84 -6.74 3 6 0 83 309.362 5

Activity (Go SEA)

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