UCSF

ZINC23634462

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 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) 6.01 18.12 -111.11 2 4 2 43 462.678 11
Hi High (pH 8-9.5) 6.01 16.14 -46.9 1 4 1 42 461.67 11
Hi High (pH 8-9.5) 6.01 14.13 -11.89 0 4 0 41 460.662 11

Activity (Go SEA)

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