UCSF

ZINC43967129

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.30 6.75 -116.79 3 4 2 39 252.406 4
Mid Mid (pH 6-8) 1.30 4.86 -38.54 2 4 1 38 251.398 4

Activity (Go SEA)

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