UCSF

ZINC20358240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 36 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) 2.19 8.92 -57.56 0 9 -1 106 492.552 8
Mid Mid (pH 6-8) 2.19 11.22 -65.73 1 9 0 108 493.56 8

Activity (Go SEA)

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