UCSF

ZINC42945298

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 1.61 2.22 -60.65 3 4 1 65 317.862 4
Lo Low (pH 4.5-6) 1.61 4.17 -147.04 4 4 2 66 318.87 4

Activity (Go SEA)

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