UCSF

ZINC41537715

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 2.92 9.3 -45.52 1 4 1 34 311.833 6
Hi High (pH 8-9.5) 2.92 7.19 -11.52 0 4 0 33 310.825 6

Activity (Go SEA)

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