UCSF

ZINC06813797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 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) 3.20 9.37 -58.41 0 5 -1 74 376.363 5
Mid Mid (pH 6-8) 3.64 2.6 -14.88 1 5 0 70 377.371 4
Mid Mid (pH 6-8) 2.61 1.99 -12.67 0 5 0 67 377.371 5

Activity (Go SEA)

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