UCSF

ZINC36639743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 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) 4.54 7.11 -23.49 3 7 0 115 487.99 5
Hi High (pH 8-9.5) 4.61 5.69 -54.81 2 7 -1 122 486.982 5

Activity (Go SEA)

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