UCSF

ZINC36318713

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 3.88 8.82 -7.43 2 3 0 43 320.165 1
Lo Low (pH 4.5-6) 3.88 9.23 -27.62 3 3 1 45 321.173 1

Activity (Go SEA)

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