UCSF

ZINC20420049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) 0.04 0.16 -43.46 4 4 1 60 216.349 6
Hi High (pH 8-9.5) 0.04 2.05 -35.77 4 4 1 60 216.349 6
Mid Mid (pH 6-8) 0.04 2.42 -99.91 5 4 2 61 217.357 6

Activity (Go SEA)

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