UCSF

ZINC34960522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 2.19 5.69 -60.31 3 5 1 83 225.268 5
Hi High (pH 8-9.5) 2.19 5.29 -9.03 2 5 0 81 224.26 5

Activity (Go SEA)

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