UCSF

ZINC36853422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.03 3 -45.55 3 4 1 63 225.312 2
Mid Mid (pH 6-8) 1.22 0.46 -37.01 2 4 0 69 224.304 2

Activity (Go SEA)

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