UCSF

ZINC34654385

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.38 7.49 -87.02 4 3 2 35 251.418 8
Hi High (pH 8-9.5) 2.38 5.32 -42 3 3 1 34 250.41 8

Activity (Go SEA)

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