UCSF

ZINC36906721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 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) 2.09 4.63 -46.04 3 2 1 31 239.408 3
Hi High (pH 8-9.5) 2.09 4.37 -2.38 2 2 0 29 238.4 3
Lo Low (pH 4.5-6) 2.09 6.55 -115.45 4 2 2 32 240.416 3

Activity (Go SEA)

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