UCSF

ZINC15043196

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 17 No

Other Names:

MFCD08062350

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) 3.82 7.58 -6.86 0 3 0 33 236.359 2
Mid Mid (pH 6-8) 4.65 5.3 -5.23 1 3 0 38 236.359 2

Activity (Go SEA)

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