UCSF

ZINC23333317

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 33 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) 2.92 8.22 -24.96 1 7 0 75 452.461 5
Lo Low (pH 4.5-6) 2.92 8.51 -55.68 2 7 1 76 453.469 5

Activity (Go SEA)

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