UCSF

ZINC41454141

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.99 7.02 -11.9 1 5 0 60 306.369 4
Lo Low (pH 4.5-6) 1.99 7.42 -36.25 2 5 1 61 307.377 4

Activity (Go SEA)

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