UCSF

ZINC22170713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 1.65 3.05 -54.2 3 4 1 65 269.39 3
Hi High (pH 8-9.5) 1.65 2.66 -8.27 2 4 0 63 268.382 3

Activity (Go SEA)

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