UCSF

ZINC20009029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 0.12 4.33 -50.45 3 5 1 79 281.339 5
Hi High (pH 8-9.5) 0.12 3.99 -8.8 2 5 0 78 280.331 5
Lo Low (pH 4.5-6) 0.12 4.79 -99.3 4 5 2 81 282.347 5

Activity (Go SEA)

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