UCSF

ZINC41196622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 1.43 4.56 -9.22 1 4 0 43 264.398 4
Mid Mid (pH 6-8) 1.43 5.61 -35.25 2 4 1 47 265.406 4

Activity (Go SEA)

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