UCSF

ZINC20218927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 No

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) 2.89 9.16 -60.35 0 8 -1 95 479.553 11
Mid Mid (pH 6-8) 2.89 11.49 -76.66 1 8 0 96 480.561 11

Activity (Go SEA)

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