UCSF

ZINC10020407

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 32 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) 3.80 -3.07 -21.51 0 6 0 80 465.6 6
Lo Low (pH 4.5-6) 3.80 -2.96 -54.57 1 6 1 81 466.608 6

Activity (Go SEA)

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