UCSF

ZINC22159110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) -0.04 1.82 -57.18 1 7 -1 104 294.312 5
Mid Mid (pH 6-8) -0.04 2.2 -71.82 2 7 0 105 295.32 5

Activity (Go SEA)

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