UCSF

ZINC37227777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 24 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) -0.05 1.27 -19.14 3 7 0 96 350.444 4
Lo Low (pH 4.5-6) -0.05 3.37 -55.59 4 7 1 97 351.452 4

Activity (Go SEA)

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