UCSF

ZINC43434880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 3.24 7.14 -36.32 2 4 1 52 260.398 11
Mid Mid (pH 6-8) 3.24 6.17 -5 1 4 0 48 259.39 11

Activity (Go SEA)

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