UCSF

ZINC34986187

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 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) 5.39 14.36 -48.23 1 4 1 31 408.541 6
Mid Mid (pH 6-8) 5.39 12.14 -11.72 0 4 0 30 407.533 6
Mid Mid (pH 6-8) 5.39 12.49 -29.14 1 4 1 32 408.541 6
Lo Low (pH 4.5-6) 5.39 14.73 -114.5 2 4 2 33 409.549 6

Activity (Go SEA)

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