UCSF

ZINC30031844

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2009 28 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) 3.83 9.22 -20.92 1 5 0 66 427.835 5
Hi High (pH 8-9.5) 4.28 8.11 -54.55 0 5 -1 69 426.827 5

Activity (Go SEA)

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