UCSF

ZINC25510093

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 2.12 5.87 -45.88 3 6 1 72 322.429 8
Hi High (pH 8-9.5) 2.12 3.63 -13.55 2 6 0 71 321.421 8

Activity (Go SEA)

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