UCSF

ZINC37859661

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 17 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) 0.32 5.52 -104.14 4 4 2 49 245.411 9
Mid Mid (pH 6-8) 0.32 4.99 -189.45 5 4 3 46 246.419 9
Mid Mid (pH 6-8) 0.32 2.86 -101.73 4 4 2 45 245.411 9

Activity (Go SEA)

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