UCSF

ZINC15321064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.27 9.71 -12.95 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.45 9.44 -12.3 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.45 10.35 -19.39 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.27 9.63 -13.07 0 8 0 101 481.526 6

Activity (Go SEA)

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