UCSF

ZINC04250976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 25 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) 1.77 12.49 -17.6 0 9 0 93 347.375 6
Mid Mid (pH 6-8) 1.77 12.97 -38.22 1 9 1 94 348.383 6

Activity (Go SEA)

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