UCSF

ZINC32833272

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

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) 2.29 7.74 -23.66 1 5 0 83 331.422 6
Hi High (pH 8-9.5) 2.48 6.66 -41.85 0 5 -1 89 330.414 6

Activity (Go SEA)

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