UCSF

ZINC37099448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.06 7.45 -9.37 1 4 0 51 270.332 5
Lo Low (pH 4.5-6) 3.06 7.94 -44.21 2 4 1 52 271.34 5

Activity (Go SEA)

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