UCSF

ZINC09271334

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 39 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) 4.55 11.4 -61.55 0 7 -1 82 525.625 10
Mid Mid (pH 6-8) 4.55 14.05 -46.87 2 7 1 81 527.641 10
Mid Mid (pH 6-8) 3.97 0.01 -48.96 1 7 1 77 527.641 10
Mid Mid (pH 6-8) 4.55 13.73 -73.7 1 7 0 83 526.633 10

Activity (Go SEA)

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