UCSF

ZINC37039327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 13 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) -1.41 -1.55 -52.12 5 5 1 77 187.267 2
Mid Mid (pH 6-8) -1.41 0.24 -129.28 6 5 2 78 188.275 2
Mid Mid (pH 6-8) -1.41 -0.16 -44.58 5 5 1 77 187.267 2

Activity (Go SEA)

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