UCSF

ZINC41304564

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) 2.81 8.1 -21.08 1 6 0 77 348.453 5
Hi High (pH 8-9.5) 2.88 6.6 -55.17 0 6 -1 83 347.445 5

Activity (Go SEA)

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