UCSF

ZINC31362744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 29 No

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) 3.62 15.6 -24.49 0 2 1 9 397.567 3
Mid Mid (pH 6-8) 3.62 16.18 -24.77 0 2 1 9 397.567 3

Activity (Go SEA)

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