UCSF

ZINC37996453

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 13 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) -0.66 5.22 -20.23 0 5 0 64 187.195 5
Hi High (pH 8-9.5) 0.09 4.1 -55.1 0 5 -1 70 186.187 4

Activity (Go SEA)

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