UCSF

ZINC47872383

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 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) 2.85 7.34 -39.15 2 3 1 34 269.434 7
Mid Mid (pH 6-8) 2.85 4.76 -7.31 1 3 0 32 268.426 7

Activity (Go SEA)

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