UCSF

ZINC43984291

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 4.09 8.31 -34.46 2 2 1 20 303.392 8
Hi High (pH 8-9.5) 4.09 6.71 -3.14 1 2 0 15 302.384 8
Lo Low (pH 4.5-6) 4.08 9.51 -115.96 3 2 2 21 304.4 8

Activity (Go SEA)

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