UCSF

ZINC37842009

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.67 6.14 -45.45 2 5 1 53 265.381 3
Mid Mid (pH 6-8) 0.67 4.22 -8.51 1 5 0 52 264.373 3

Activity (Go SEA)

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