UCSF

ZINC54672239

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 30 Yes

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) 2.12 11.28 -11.99 1 8 0 70 409.538 5
Mid Mid (pH 6-8) 2.12 11.47 -27.14 2 8 0 71 410.546 5
Lo Low (pH 4.5-6) 2.12 13.77 -77.69 3 8 0 72 411.554 5

Activity (Go SEA)

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