UCSF

ZINC37854726

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 No

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) -1.68 -4.3 -43.83 3 5 1 79 210.275 3
Mid Mid (pH 6-8) -1.68 -6.69 -12.15 2 5 0 78 209.267 3

Activity (Go SEA)

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