UCSF

ZINC00542570

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 4.51 13.4 -14 1 5 0 64 319.412 2
Lo Low (pH 4.5-6) 4.51 13.84 -29.86 2 5 1 65 320.42 2
Lo Low (pH 4.5-6) 4.51 13.84 -28.81 2 5 1 65 320.42 2

Activity (Go SEA)

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