UCSF

ZINC22039631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) 2.85 3.96 -41.42 3 4 1 49 336.283 10
Mid Mid (pH 6-8) 2.85 4.87 -34.6 3 4 1 46 336.283 10

Activity (Go SEA)

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