UCSF

ZINC37081241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 0.34 3.34 -89.25 5 3 2 56 157.261 5
Mid Mid (pH 6-8) -2.83 3.5 -28.13 5 3 1 56 156.253 5

Activity (Go SEA)

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