UCSF

ZINC38573699

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 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) 2.56 8.83 -22.53 1 6 0 66 404.442 3
Hi High (pH 8-9.5) 2.56 8.99 -9.76 0 6 0 65 403.434 3

Activity (Go SEA)

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