UCSF

ZINC37101556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.52 2.52 -11.17 3 4 0 65 300.745 3
Lo Low (pH 4.5-6) 3.52 2.9 -32.27 4 4 1 67 301.753 3

Activity (Go SEA)

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