UCSF

ZINC08895436

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 33 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) 4.78 11.96 -17.34 2 8 0 117 458.499 6
Hi High (pH 8-9.5) 4.85 9.9 -41.49 1 8 -1 123 457.491 6

Activity (Go SEA)

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