UCSF

ZINC34380587

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 10 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) -0.39 -1.58 -42.03 7 3 1 80 138.194 1
Hi High (pH 8-9.5) -0.39 -2.07 -3.18 6 3 0 78 137.186 1

Activity (Go SEA)

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