UCSF

ZINC37825962

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.59 8.71 -89.08 3 4 2 41 297.487 6
Hi High (pH 8-9.5) 2.59 7.52 -46.84 2 4 1 37 296.479 6

Activity (Go SEA)

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