UCSF

ZINC20037809

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 26 No

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) 1.34 5.13 -35.16 4 11 1 142 362.418 6
Mid Mid (pH 6-8) 1.34 2.58 -10.83 3 11 0 140 361.41 6

Activity (Go SEA)

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