UCSF

ZINC29481210

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 26 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 10.45 -43.43 2 3 1 28 353.53 8
Hi High (pH 8-9.5) 5.06 8.07 -5.8 1 3 0 27 352.522 8

Activity (Go SEA)

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