UCSF

ZINC42915185

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.37 8.04 -93.75 4 3 2 35 289.467 5
Mid Mid (pH 6-8) 2.37 5.64 -40.99 3 3 1 34 288.459 5

Activity (Go SEA)

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