UCSF

ZINC13008058

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 35 No

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) 3.67 10.16 -46.23 3 7 1 82 472.613 5
Hi High (pH 8-9.5) 3.67 8.27 -20.73 2 7 0 81 471.605 5
Lo Low (pH 4.5-6) 3.67 11.12 -77.34 4 7 2 84 473.621 5

Activity (Go SEA)

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