UCSF

ZINC37871055

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 9 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) 0.25 3.94 -40.01 2 2 1 40 125.195 3
Hi High (pH 8-9.5) 0.25 2.84 -5.77 1 2 0 36 124.187 3

Activity (Go SEA)

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