UCSF

ZINC55099908

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 31 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) 3.47 11.22 -44.01 1 5 1 43 423.577 7
Hi High (pH 8-9.5) 3.47 9.16 -11.68 0 5 0 42 422.569 7
Hi High (pH 8-9.5) 3.47 11.66 -45.94 1 5 1 43 423.577 7

Activity (Go SEA)

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