UCSF

ZINC31898744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 33 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) 2.54 11.64 -64.6 2 8 1 87 471.603 7
Hi High (pH 8-9.5) 2.54 9.2 -23.98 1 8 0 86 470.595 7

Activity (Go SEA)

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