UCSF

ZINC53119260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.82 3.78 -35.22 4 4 1 66 271.425 7
Hi High (pH 8-9.5) 2.82 2.96 -8.13 3 4 0 61 270.417 7

Activity (Go SEA)

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