UCSF

ZINC37096281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 2.12 4.12 -95.54 5 3 2 56 201.358 7
Mid Mid (pH 6-8) -0.79 4.67 -24 5 3 1 56 200.35 7

Activity (Go SEA)

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