UCSF

ZINC06530692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 21 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) 3.69 12.12 -9.76 1 5 0 58 281.363 6
Lo Low (pH 4.5-6) 3.69 12.12 -30.99 2 5 1 59 282.371 6

Activity (Go SEA)

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