UCSF

ZINC21671399

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 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) 2.35 6.43 -16.43 0 5 0 51 352.822 4
Mid Mid (pH 6-8) 2.35 8.85 -48.23 1 5 1 52 353.83 4

Activity (Go SEA)

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