UCSF

ZINC35216120

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) -0.28 5.29 -39.99 1 5 1 52 253.37 5
Mid Mid (pH 6-8) -0.28 5.05 -45.34 1 5 1 52 253.37 5
Mid Mid (pH 6-8) -0.28 2.85 -12.02 0 5 0 51 252.362 5

Activity (Go SEA)

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