UCSF

ZINC15779567

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 26 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) 3.48 9.98 -38.41 1 5 1 37 372.562 5
Mid Mid (pH 6-8) 3.48 7.61 -6.96 0 5 0 35 371.554 5

Activity (Go SEA)

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