UCSF

ZINC08861420

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 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) 5.87 8.89 -16.36 0 9 0 90 488.477 3
Ref Reference (pH 7) 5.87 7.67 -12.25 0 9 0 90 488.477 3
Lo Low (pH 4.5-6) 5.87 9.25 -35.47 1 9 1 91 489.485 3
Lo Low (pH 4.5-6) 5.87 8.17 -38.19 1 9 1 91 489.485 3

Activity (Go SEA)

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