UCSF

ZINC08926727

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 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) 3.71 8.31 -44.99 1 7 -1 99 452.527 10
Mid Mid (pH 6-8) 4.16 7.85 -18.18 2 7 0 96 453.535 9

Activity (Go SEA)

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