UCSF

ZINC08973712

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 35 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) 6.48 14 -55.37 0 5 -1 73 485.56 5
Mid Mid (pH 6-8) 5.90 13.97 -18.94 0 5 0 67 486.568 5
Mid Mid (pH 6-8) 6.92 12.93 -29.78 1 5 0 71 486.568 4

Activity (Go SEA)

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