UCSF

ZINC69971701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 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) 1.94 11.64 -111.62 2 4 2 35 328.504 11
Hi High (pH 8-9.5) 1.94 9.31 -46.68 1 4 1 33 327.496 11

Activity (Go SEA)

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