UCSF

ZINC40694069

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 20 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) 1.82 4.81 -32.66 4 5 1 66 283.44 5
Lo Low (pH 4.5-6) 1.82 6.01 -96.4 5 5 2 67 284.448 5

Activity (Go SEA)

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