UCSF

ZINC54534709

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 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) 2.71 5.73 -18.82 2 4 0 62 316.666 3
Hi High (pH 8-9.5) 3.17 2.95 -41.87 1 4 -1 65 315.658 3

Activity (Go SEA)

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