UCSF

ZINC41368371

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) 2.16 7.81 -10.26 0 4 0 46 307.328 4
Lo Low (pH 4.5-6) 2.16 8.27 -42.33 1 4 1 47 308.336 4

Activity (Go SEA)

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