UCSF

ZINC42895491

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.11 4.34 -9.23 3 5 0 65 260.341 5
Mid Mid (pH 6-8) 2.11 4.46 -27.91 4 5 1 66 261.349 5

Activity (Go SEA)

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