UCSF

ZINC41311951

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) 0.34 3.2 -57.97 3 7 1 81 322.385 7
Hi High (pH 8-9.5) 0.34 0.65 -19.66 2 7 0 80 321.377 7

Activity (Go SEA)

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