UCSF

ZINC09126759

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 34 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) 2.99 -1.17 -15.85 1 9 0 100 481.53 7
Mid Mid (pH 6-8) 2.99 -0.92 -42.4 2 9 1 102 482.538 7

Activity (Go SEA)

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