UCSF

ZINC06902090

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 29 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) 2.99 10.05 -14.36 1 6 0 73 385.471 5
Lo Low (pH 4.5-6) 2.99 10.32 -48.74 2 6 1 74 386.479 5

Activity (Go SEA)

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