UCSF

ZINC20133800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 33 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) 2.32 7.78 -15 2 11 0 122 452.471 7
Lo Low (pH 4.5-6) 2.50 7.69 -39.17 3 11 1 127 453.479 7

Activity (Go SEA)

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