UCSF

ZINC13282012

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 29 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) 6.50 12.14 -7.26 0 4 0 48 429.655 6
Lo Low (pH 4.5-6) 6.50 12.41 -28.05 1 4 1 49 430.663 6

Activity (Go SEA)

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