UCSF

ZINC20145486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 18 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) 2.87 6.32 -32.02 2 2 1 20 257.348 6
Mid Mid (pH 6-8) 2.87 7.19 -28.95 2 2 1 16 257.348 6
Mid Mid (pH 6-8) 2.87 8.7 -105.21 3 2 2 21 258.356 6

Activity (Go SEA)

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