UCSF

ZINC39894713

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.60 7.56 -52.6 3 7 1 92 372.445 5
Mid Mid (pH 6-8) 1.60 5.95 -15.14 2 7 0 88 371.437 5

Activity (Go SEA)

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