UCSF

ZINC40190842

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) 2.61 9.38 -18.93 1 6 0 67 368.481 6
Lo Low (pH 4.5-6) 2.61 9.82 -32.24 2 6 1 68 369.489 6

Activity (Go SEA)

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