UCSF

ZINC40234979

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.79 12.32 -9.14 0 3 0 27 322.452 7
Lo Low (pH 4.5-6) 5.79 12.98 -27.31 1 3 1 28 323.46 7

Activity (Go SEA)

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