UCSF

ZINC49092535

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.56 7.38 -13.98 0 5 0 44 329.444 3
Mid Mid (pH 6-8) 1.56 9.52 -48.15 1 5 1 45 330.452 3

Activity (Go SEA)

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