UCSF

ZINC18162319

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 27 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) 1.56 4.98 -20.76 1 8 0 94 367.34 4
Ref Reference (pH 7) 1.56 4.35 -15.4 1 8 0 94 367.34 4
Ref Reference (pH 7) 1.56 3.83 -13.7 1 8 0 94 367.34 4
Mid Mid (pH 6-8) 1.56 2.98 -55.37 2 8 1 96 368.348 4

Activity (Go SEA)

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