UCSF

ZINC43346061

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 2.41 7.12 -17.42 1 6 0 61 345.472 4
Mid Mid (pH 6-8) 2.41 9.35 -54.98 2 6 1 63 346.48 4

Activity (Go SEA)

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