UCSF

ZINC71700653

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2011 23 Yes

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) 1.72 2.89 -58.39 6 5 1 100 330.433 4
Hi High (pH 8-9.5) 1.72 2.49 -11.69 5 5 0 98 329.425 4

Activity (Go SEA)

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