UCSF

ZINC34891794

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 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) 5.08 11.21 -55.18 3 8 1 104 496.378 6
Hi High (pH 8-9.5) 5.08 9.87 -13.49 2 8 0 99 495.37 6

Activity (Go SEA)

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