UCSF

ZINC13778863

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 17 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) 1.26 3.52 -9.32 2 4 0 62 230.267 2
Lo Low (pH 4.5-6) 1.33 1.7 -36.25 3 4 1 67 231.275 2

Activity (Go SEA)

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