UCSF

ZINC42946609

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 1.94 2.57 -50.43 5 4 1 74 310.849 6
Mid Mid (pH 6-8) 1.94 3.5 -120.75 6 4 2 75 311.857 6

Activity (Go SEA)

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