UCSF

ZINC37240850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 11 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) -0.35 1.38 -28.18 3 3 1 40 159.253 3
Lo Low (pH 4.5-6) -0.35 1.66 -106.29 4 3 2 41 160.261 3

Activity (Go SEA)

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