UCSF

ZINC37098073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.24 3.07 -49.35 3 4 1 49 316.219 5
Mid Mid (pH 6-8) 2.24 5.03 -128.37 4 4 2 51 317.227 5

Activity (Go SEA)

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