UCSF

ZINC39896463

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.39 7.26 -10.08 1 7 0 96 397.456 6
Hi High (pH 8-9.5) 2.58 5.2 -44.19 0 7 -1 102 396.448 6

Activity (Go SEA)

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