UCSF

ZINC23316893

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.38 14.55 -7.68 0 3 0 29 369.459 6
Lo Low (pH 4.5-6) 6.38 14.53 -27.94 1 3 1 30 370.467 6
Lo Low (pH 4.5-6) 6.38 14.48 -26.98 1 3 1 30 370.467 6

Activity (Go SEA)

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