UCSF

ZINC15230022

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 30 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) 3.37 6.95 -60.58 1 6 -1 90 449.31 8
Mid Mid (pH 6-8) 3.82 5.96 -28.76 2 6 0 87 450.318 7
Mid Mid (pH 6-8) 2.79 6.99 -19.53 1 6 0 84 450.318 8

Activity (Go SEA)

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