UCSF

ZINC37820881

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) 0.88 0.04 -58.08 6 6 1 103 283.396 3
Mid Mid (pH 6-8) 0.88 0.3 -12.61 5 6 0 101 282.388 3

Activity (Go SEA)

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