UCSF

ZINC36996376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.62 9.46 -32.98 2 2 1 20 287.471 5
Lo Low (pH 4.5-6) 3.62 11.72 -106.78 3 2 2 21 288.479 5

Activity (Go SEA)

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