UCSF

ZINC31962619

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) -0.17 2.16 -52.78 4 5 1 73 223.3 5
Mid Mid (pH 6-8) -0.17 2.44 -88.89 5 5 2 74 224.308 5

Activity (Go SEA)

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