UCSF

ZINC36406176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 17 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) 2.41 3.7 -4.87 1 2 0 23 247.26 5
Mid Mid (pH 6-8) 2.41 5.58 -37.96 2 2 1 25 248.268 5

Activity (Go SEA)

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