UCSF

ZINC20967861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 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) 4.99 12.97 -111.55 3 3 2 30 419.407 8
Hi High (pH 8-9.5) 4.99 11.67 -37.13 2 3 1 26 418.399 8
Lo Low (pH 4.5-6) 4.99 10.55 -38.22 2 3 1 29 418.399 8

Activity (Go SEA)

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