UCSF

ZINC04370998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 18 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) 0.82 4.85 -7.94 1 7 0 76 249.274 1
Mid Mid (pH 6-8) 0.82 5.19 -35.71 2 7 1 77 250.282 1

Activity (Go SEA)

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