UCSF

ZINC40405511

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 20 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) 4.08 10.74 -48.38 1 3 1 22 294.85 6
Hi High (pH 8-9.5) 4.08 8.59 -6.12 0 3 0 21 293.842 6
Lo Low (pH 4.5-6) 4.08 11.2 -94.82 2 3 2 24 295.858 6

Activity (Go SEA)

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