UCSF

ZINC22747006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 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) 3.61 6.45 -23.02 2 4 0 62 310.378 3
Hi High (pH 8-9.5) 3.61 7.47 -70.41 1 4 -1 65 309.37 3

Activity (Go SEA)

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