UCSF

ZINC42434647

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) -1.23 -2.29 -7.37 3 7 0 102 212.209 2
Mid Mid (pH 6-8) -0.77 -3.96 -40.3 2 7 -1 105 211.201 2

Activity (Go SEA)

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