UCSF

ZINC36890715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 4.33 10.78 -46.85 0 4 -1 58 325.841 6
Lo Low (pH 4.5-6) 4.33 11.24 -36.52 1 4 0 59 326.849 6

Activity (Go SEA)

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