UCSF

ZINC34866547

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 28 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) 6.19 12.81 -45.62 2 3 1 34 432.431 8
Hi High (pH 8-9.5) 6.19 10.58 -5.48 1 3 0 32 431.423 8

Activity (Go SEA)

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