UCSF

ZINC21886757

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 30 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) 4.20 10.96 -13.71 1 5 0 58 404.489 5
Lo Low (pH 4.5-6) 4.20 11.31 -43.44 2 5 1 59 405.497 5

Activity (Go SEA)

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