UCSF

ZINC34592974

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 5.34 11.57 -4.53 0 1 0 3 325.455 2
Lo Low (pH 4.5-6) 5.34 13.6 -30.41 1 1 1 4 326.463 2

Activity (Go SEA)

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