UCSF

ZINC33286380

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 26 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) 5.61 13.11 -10.34 0 3 0 27 340.426 6
Lo Low (pH 4.5-6) 5.61 13.51 -30.47 1 3 1 28 341.434 6

Activity (Go SEA)

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