UCSF

ZINC60994330

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2011 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) 2.53 9.05 -54.04 1 5 1 53 322.356 7
Hi High (pH 8-9.5) 2.53 6.71 -11.36 0 5 0 52 321.348 7

Activity (Go SEA)

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