UCSF

ZINC13235450

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 25 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) 4.68 6.9 -9.32 3 4 0 68 365.38 3
Lo Low (pH 4.5-6) 4.68 7.15 -33.58 4 4 1 69 366.388 3

Activity (Go SEA)

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