UCSF

ZINC33770107

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.44 8.79 -8.99 1 5 0 72 372.833 4
Hi High (pH 8-9.5) 5.90 6.81 -45.02 0 5 -1 75 371.825 4

Activity (Go SEA)

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