UCSF

ZINC41565160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 18 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) 0.61 1.93 -42.56 0 6 -1 77 283.358 4
Mid Mid (pH 6-8) 0.61 1.64 -11.79 1 6 0 75 284.366 4

Activity (Go SEA)

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