UCSF

ZINC34684595

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 3.21 9.01 -45.38 2 5 1 40 401.962 7
Mid Mid (pH 6-8) 3.21 11.22 -93.64 3 5 2 41 402.97 7

Activity (Go SEA)

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