UCSF

ZINC40190347

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 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) 3.62 9.89 -17.49 1 6 0 67 372.513 9
Lo Low (pH 4.5-6) 3.62 10.09 -31.29 2 6 1 68 373.521 9

Activity (Go SEA)

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