UCSF

ZINC13214484

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 13 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) 2.42 3.44 -9.11 1 2 0 33 171.199 1
Lo Low (pH 4.5-6) 2.42 3.71 -26.52 2 2 1 34 172.207 1

Activity (Go SEA)

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