UCSF

ZINC26745573

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 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) 2.25 8.65 -50.62 3 4 1 61 368.888 1
Hi High (pH 8-9.5) 2.25 8.27 -11.25 2 4 0 59 367.88 1
Lo Low (pH 4.5-6) 2.25 8.94 -105.33 4 4 2 62 369.896 1

Activity (Go SEA)

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