UCSF

ZINC13228189

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 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) 3.74 9.05 -47.15 0 5 -1 75 313.292 1
Mid Mid (pH 6-8) 3.74 9.49 -56.77 1 5 0 76 314.3 1

Activity (Go SEA)

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