UCSF

ZINC37207523

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) -0.69 -2.38 -41.81 4 5 1 75 160.197 4
Hi High (pH 8-9.5) -0.69 -3.83 -9.24 3 5 0 70 159.189 4

Activity (Go SEA)

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