UCSF

ZINC00545341

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 3.56 12.24 -14.79 1 5 0 64 291.358 2
Lo Low (pH 4.5-6) 3.56 12.7 -28.46 2 5 1 65 292.366 2
Lo Low (pH 4.5-6) 3.56 12.68 -29.46 2 5 1 65 292.366 2

Activity (Go SEA)

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