UCSF

ZINC44471986

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 14 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) 2.61 7.3 -107.43 3 2 2 21 200.37 6
Mid Mid (pH 6-8) 2.61 5.62 -31.41 2 2 1 20 199.362 6
Mid Mid (pH 6-8) 2.61 6.24 -26.92 2 2 1 16 199.362 6

Activity (Go SEA)

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