UCSF

ZINC48042119

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.36 1 -19.85 2 8 0 85 327.429 7
Mid Mid (pH 6-8) -0.36 3.16 -55.23 3 8 1 86 328.437 7

Activity (Go SEA)

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