UCSF

ZINC19657072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 0.49 1.33 -15.62 2 7 0 83 315.377 5
Lo Low (pH 4.5-6) 0.49 3.5 -57.42 3 7 1 84 316.385 5

Activity (Go SEA)

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