UCSF

ZINC44726521

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 2.47 9.4 -46.69 3 4 1 48 277.779 2
Hi High (pH 8-9.5) 2.47 7.06 -6.68 2 4 0 47 276.771 2
Lo Low (pH 4.5-6) 2.47 9.87 -94.2 4 4 2 50 278.787 2

Activity (Go SEA)

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