UCSF

ZINC06621417

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 3.58 8.68 -64.11 0 6 -1 79 408.474 9
Mid Mid (pH 6-8) 3.00 0.41 -25.07 0 6 0 72 409.482 9
Lo Low (pH 4.5-6) 3.58 7.92 -16.82 1 6 0 76 409.482 9

Activity (Go SEA)

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