UCSF

ZINC31475367

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 33 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) 5.75 13.43 -50.08 3 6 1 89 448.539 10
Hi High (pH 8-9.5) 5.75 12.18 -14.66 2 6 0 85 447.531 10

Activity (Go SEA)

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