UCSF

ZINC14953450

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 2.79 10.6 -87.09 3 5 2 41 402.627 9
Hi High (pH 8-9.5) 2.79 8.28 -46.02 2 5 1 40 401.619 9
Lo Low (pH 4.5-6) 2.79 12.83 -166.04 4 5 3 42 403.635 9

Activity (Go SEA)

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