UCSF

ZINC22933395

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 0.50 1.69 -52.53 3 6 1 78 305.354 4
Mid Mid (pH 6-8) 0.50 -0.58 -12.41 2 6 0 77 304.346 4

Activity (Go SEA)

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