UCSF

ZINC37770926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -2.23 -2.77 -61.49 5 7 1 104 212.233 4
Mid Mid (pH 6-8) -2.23 -3.16 -24.34 4 7 0 102 211.225 4

Activity (Go SEA)

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