UCSF

ZINC43969562

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 1.41 2.54 -37.87 2 4 1 38 245.387 7
Hi High (pH 8-9.5) 1.41 1.17 -2.32 1 4 0 34 244.379 7
Mid Mid (pH 6-8) 1.41 2.85 -30.39 2 4 1 35 245.387 7

Activity (Go SEA)

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