UCSF

ZINC36799186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 30 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) 4.56 10.53 -18.18 1 6 0 65 401.466 7
Lo Low (pH 4.5-6) 4.56 11.2 -37.98 2 6 1 67 402.474 7

Activity (Go SEA)

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