UCSF

ZINC42684318

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 11 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) 1.13 3.47 -31.42 2 2 1 16 155.265 1
Mid Mid (pH 6-8) 1.13 4.75 -103.64 3 2 2 21 156.273 1

Activity (Go SEA)

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