UCSF

ZINC39914108

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 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) 5.27 8.65 -11.56 2 6 0 78 439.943 6
Mid Mid (pH 6-8) 5.27 9.42 -49.55 1 6 -1 81 438.935 6

Activity (Go SEA)

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