UCSF

ZINC43455298

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 3.32 7.62 -109.85 3 2 2 21 202.386 9
Mid Mid (pH 6-8) 3.32 5.64 -35.89 2 2 1 20 201.378 9
Mid Mid (pH 6-8) 3.32 6.18 -33.2 2 2 1 16 201.378 9

Activity (Go SEA)

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