UCSF

ZINC43394793

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 4.70 9.65 -44.5 2 2 1 40 257.401 3
Mid Mid (pH 6-8) 4.70 8.43 -5.56 1 2 0 36 256.393 3

Activity (Go SEA)

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