UCSF

ZINC21886733

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 26 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) 3.81 8.83 -14.6 1 5 0 58 356.445 6
Lo Low (pH 4.5-6) 3.81 9.18 -44.63 2 5 1 59 357.453 6

Activity (Go SEA)

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