UCSF

ZINC43895484

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.87 8.73 -103.28 3 2 2 21 264.457 7
Mid Mid (pH 6-8) 3.87 8.66 -32.6 2 2 1 16 263.449 7
Mid Mid (pH 6-8) 3.87 9.48 -33.23 2 2 1 20 263.449 7

Activity (Go SEA)

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