UCSF

ZINC15962646

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 36 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) 2.83 5.97 -52.33 0 11 -1 143 507.552 7
Lo Low (pH 4.5-6) 2.38 7.72 -34.89 1 11 0 140 508.56 7

Activity (Go SEA)

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