UCSF

ZINC28259719

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 24 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) 5.79 11.8 -125.76 4 2 2 33 408.2 9
Hi High (pH 8-9.5) 5.79 10.38 -52.2 3 2 1 29 407.192 9

Activity (Go SEA)

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