UCSF

ZINC37322266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.22 6.38 -40.33 2 3 1 29 287.427 4
Lo Low (pH 4.5-6) 2.22 8.89 -109.8 3 3 2 30 288.435 4

Activity (Go SEA)

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