UCSF

ZINC22690070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 24 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) 1.70 2.98 -22.67 2 6 0 74 333.432 4
Mid Mid (pH 6-8) 1.70 5.33 -61.55 3 6 1 76 334.44 4

Activity (Go SEA)

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