UCSF

ZINC48968741

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 16 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) 1.51 4.56 -6.2 1 5 0 62 220.276 4
Hi High (pH 8-9.5) 1.51 4.54 -36.69 0 5 -1 60 219.268 4

Activity (Go SEA)

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