UCSF

ZINC41636107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 10 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) 2.32 4.42 -2.05 0 1 0 3 139.242 5
Mid Mid (pH 6-8) 2.32 6.9 -31.03 1 1 1 4 140.25 5

Activity (Go SEA)

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