UCSF

ZINC43966866

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.82 7.44 -34.87 2 3 1 29 289.443 6
Mid Mid (pH 6-8) 2.82 5.44 -2.63 1 3 0 24 288.435 6
Mid Mid (pH 6-8) 2.82 9.35 -31.58 2 3 1 26 289.443 6

Activity (Go SEA)

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