UCSF

ZINC57815643

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 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) 1.83 8.8 -13.95 1 6 0 71 369.494 6
Lo Low (pH 4.5-6) 1.83 9.26 -43.26 2 6 1 72 370.502 6

Activity (Go SEA)

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