UCSF

ZINC44518020

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.36 6.07 -99.79 4 3 2 41 250.386 5
Hi High (pH 8-9.5) 1.36 4.79 -34.31 3 3 1 37 249.378 5

Activity (Go SEA)

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