UCSF

ZINC41373572

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 26 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) 3.98 6.19 -9.53 1 6 0 68 374.462 4
Hi High (pH 8-9.5) 3.98 6.26 -48.58 0 6 -1 70 373.454 4

Activity (Go SEA)

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