UCSF

ZINC41680040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.43 3.26 -47.28 3 5 1 72 217.289 9
Hi High (pH 8-9.5) 0.43 1.9 -13.1 2 5 0 67 216.281 9

Activity (Go SEA)

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