UCSF

ZINC40071026

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 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) 2.40 7.32 -13.61 1 6 0 64 341.411 7
Lo Low (pH 4.5-6) 2.40 7.78 -37.72 2 6 1 65 342.419 7

Activity (Go SEA)

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