UCSF

ZINC36194444

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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) 4.05 8.76 -8.13 1 3 0 42 337.25 5
Lo Low (pH 4.5-6) 4.05 9.23 -42.96 2 3 1 43 338.258 5

Activity (Go SEA)

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