UCSF

ZINC48812399

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 23 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) 3.65 9.36 -41.02 1 4 1 26 313.421 6
Mid Mid (pH 6-8) 3.65 7.1 -7 0 4 0 25 312.413 6

Activity (Go SEA)

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