UCSF

ZINC37244185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) -1.43 -1.47 -9.26 2 6 0 91 199.21 6
Hi High (pH 8-9.5) -1.25 -2.77 -40.37 1 6 -1 98 198.202 6

Activity (Go SEA)

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