UCSF

ZINC00206241

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 3.85 6.71 -7.63 2 3 0 45 290.366 5
Lo Low (pH 4.5-6) 3.85 7.15 -30.23 3 3 1 46 291.374 5

Activity (Go SEA)

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