UCSF

ZINC37825730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.87 1.06 -53.52 2 5 1 71 245.324 4
Hi High (pH 8-9.5) -0.87 -0.38 -16.33 1 5 0 66 244.316 4

Activity (Go SEA)

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