UCSF

ZINC00565723

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 2.14 5.29 -11.63 2 4 0 54 285.372 1
Lo Low (pH 4.5-6) 2.14 -6.81 -31.31 3 4 1 55 286.38 1
Lo Low (pH 4.5-6) 2.20 3.65 -32.76 3 4 1 59 286.38 1

Activity (Go SEA)

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