UCSF

ZINC34591465

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 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) -0.58 0.92 -309.89 10 4 4 88 232.416 8
Mid Mid (pH 6-8) -0.58 -0.15 -175.89 9 4 3 84 231.408 8
Mid Mid (pH 6-8) -0.58 -0.53 -92.47 8 4 2 82 230.4 8

Activity (Go SEA)

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