UCSF

ZINC36196890

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.46 10.2 -49.56 2 5 1 50 357.453 6
Lo Low (pH 4.5-6) 2.46 10.69 -92.17 3 5 2 51 358.461 6

Activity (Go SEA)

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