UCSF

ZINC05760486

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 19 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) 2.99 4.33 -41.5 4 4 1 62 375.23 6
Hi High (pH 8-9.5) 2.99 3.16 -8.14 3 4 0 57 374.222 6

Activity (Go SEA)

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