UCSF

ZINC45702657

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) -0.26 3.71 -72.57 2 8 0 109 318.399 9
Hi High (pH 8-9.5) -0.26 3.9 -79.52 1 8 -1 111 317.391 9
Hi High (pH 8-9.5) -0.26 1.76 -51.54 1 8 -1 107 317.391 9

Activity (Go SEA)

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