UCSF

ZINC37831805

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.45 8.41 -66.26 0 6 -1 87 286.348 8
Lo Low (pH 4.5-6) 1.45 6.5 -15.85 1 6 0 84 287.356 8

Activity (Go SEA)

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