UCSF

ZINC42779580

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 13 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) 2.10 6.37 -34.45 1 2 1 8 207.769 7
Hi High (pH 8-9.5) 2.10 3.9 -1.04 0 2 0 6 206.761 7
Lo Low (pH 4.5-6) 2.10 8.14 -107.77 2 2 2 9 208.777 7

Activity (Go SEA)

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