UCSF

ZINC39034758

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 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) 3.14 8.02 -124.67 4 2 2 32 289.25 3
Hi High (pH 8-9.5) 3.14 7.9 -31.75 3 2 1 30 288.242 3
Mid Mid (pH 6-8) 3.14 6.65 -43.12 3 2 1 31 288.242 3

Activity (Go SEA)

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