UCSF

ZINC22279024

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 32 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) 3.66 10.3 -46.76 2 7 1 67 447.588 5
Mid Mid (pH 6-8) 3.66 7.84 -13.27 1 7 0 66 446.58 5

Activity (Go SEA)

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