UCSF

ZINC35871488

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 33 Yes

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) 5.06 13.43 -41.43 2 4 1 37 458.548 5
Hi High (pH 8-9.5) 5.06 11.19 -8.15 1 4 0 36 457.54 5

Activity (Go SEA)

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