UCSF

ZINC34224360

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 12 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) -0.21 1.66 -35.13 2 3 1 38 165.216 2
Hi High (pH 8-9.5) -0.21 -1.51 -9 1 3 0 36 164.208 2

Activity (Go SEA)

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