UCSF

ZINC16732244

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 3.19 10.75 -55.87 0 6 -1 83 425.464 8
Mid Mid (pH 6-8) 3.63 8.67 -28.46 1 6 0 80 426.472 7
Mid Mid (pH 6-8) 2.61 9.68 -23.12 0 6 0 77 426.472 8
Lo Low (pH 4.5-6) 3.63 8.95 -53.44 2 6 1 81 427.48 7
Lo Low (pH 4.5-6) 2.61 9.97 -51.68 1 6 1 78 427.48 8

Activity (Go SEA)

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