UCSF

ZINC13570000

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 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) 2.32 6.99 -14.61 0 5 0 49 364.474 4
Lo Low (pH 4.5-6) 2.32 9.48 -104.17 2 5 2 52 366.49 4

Activity (Go SEA)

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