UCSF

ZINC42920699

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 23 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) 4.12 3.59 -52.17 5 4 1 77 324.485 13
Hi High (pH 8-9.5) 4.12 3.35 -7.23 4 4 0 76 323.477 13

Activity (Go SEA)

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