UCSF

ZINC42580473

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 2.29 7.15 -39.63 1 2 1 22 196.314 2
Hi High (pH 8-9.5) 2.29 5.12 -3.33 0 2 0 20 195.306 2

Activity (Go SEA)

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