UCSF

ZINC43700017

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -0.43 7.5 -39.93 3 4 0 71 262.353 5
Mid Mid (pH 6-8) -0.43 7.89 -85.11 4 4 1 72 263.361 5

Activity (Go SEA)

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