UCSF

ZINC00248691

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 16 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) 2.14 5.67 -41.65 2 3 1 48 217.292 2
Mid Mid (pH 6-8) 2.14 3.65 -6.34 1 3 0 47 216.284 2

Activity (Go SEA)

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