UCSF

ZINC09724647

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2007 24 Yes

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) 2.74 9.28 -10.26 1 6 0 75 342.424 4
Hi High (pH 8-9.5) 2.74 9.1 -51.41 0 6 -1 73 341.416 4

Activity (Go SEA)

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