UCSF

ZINC37854780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -1.29 -4.02 -39.52 4 5 1 70 219.305 6
Mid Mid (pH 6-8) -1.29 -1.76 -101.89 5 5 2 71 220.313 6

Activity (Go SEA)

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