UCSF

ZINC20207155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 27 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) 2.92 10.66 -39.17 1 4 1 28 370.561 4
Lo Low (pH 4.5-6) 2.92 10.58 -39.36 1 4 1 28 370.561 4

Activity (Go SEA)

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