UCSF

ZINC06554119

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 30 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) 3.44 8.3 -37.81 1 5 -1 81 402.401 5
Mid Mid (pH 6-8) 2.85 8.73 -21.63 1 5 0 75 403.409 5
Lo Low (pH 4.5-6) 3.44 7.17 -17.65 2 5 0 78 403.409 5

Activity (Go SEA)

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