UCSF

ZINC44424534

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 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) 2.12 5.7 -40.69 2 3 1 35 278.294 9
Mid Mid (pH 6-8) 2.12 4.75 -5.5 1 3 0 30 277.286 9

Activity (Go SEA)

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