UCSF

ZINC44244121

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 1.41 2.34 -11.34 1 5 0 72 342.218 5
Lo Low (pH 4.5-6) 1.41 2.79 -41.83 2 5 1 73 343.226 5

Activity (Go SEA)

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