UCSF

ZINC31897745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.51 11.53 -48.41 1 4 1 39 322.498 7
Hi High (pH 8-9.5) 3.51 9.33 -10.79 0 4 0 38 321.49 7

Activity (Go SEA)

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