UCSF

ZINC18203376

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 30 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) 3.25 8.66 -56.83 0 6 -1 83 406.389 6
Mid Mid (pH 6-8) 2.67 9.31 -13.31 0 6 0 77 407.397 6
Mid Mid (pH 6-8) 3.25 8.95 -13.22 1 6 0 80 407.397 6

Activity (Go SEA)

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