UCSF

ZINC11821225

Substance Information

In ZINC since Heavy atoms Benign functionality
March 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) 2.14 -1.08 -11.07 1 7 0 82 337.383 7
Lo Low (pH 4.5-6) 2.14 -0.97 -39.13 2 7 1 83 338.391 7

Activity (Go SEA)

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