UCSF

ZINC13227080

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 25 No

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) 1.94 6.79 -43.25 3 7 1 94 345.423 5
Mid Mid (pH 6-8) 1.94 6.27 -15.33 2 7 0 93 344.415 5

Activity (Go SEA)

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