UCSF

ZINC22771420

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 20 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) 5.08 9.46 -47.84 2 2 1 26 420.552 5
Mid Mid (pH 6-8) 5.08 8.09 -3.93 1 2 0 21 419.544 5

Activity (Go SEA)

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