UCSF

ZINC39898471

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 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) 5.14 6.37 -11.07 3 7 0 99 506.784 6
Hi High (pH 8-9.5) 4.94 5.99 -51.57 1 7 -1 98 505.776 6

Activity (Go SEA)

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