UCSF

ZINC12526782

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 27 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) 2.75 6.45 -12.6 2 5 0 76 401.385 8
Lo Low (pH 4.5-6) 2.75 6.75 -47.73 3 5 1 78 402.393 8

Activity (Go SEA)

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