UCSF

ZINC22125269

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 2.96 7.38 -42.47 2 3 1 29 301.385 4
Hi High (pH 8-9.5) 2.96 5.97 -4.65 1 3 0 24 300.377 4

Activity (Go SEA)

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