UCSF

ZINC21785055

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.51 5.16 -53.95 3 9 -1 140 465.511 8
Mid Mid (pH 6-8) 2.05 6.28 -26.06 4 9 0 136 466.519 8

Activity (Go SEA)

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