UCSF

ZINC44677459

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 3.57 9.26 -35.29 2 2 1 20 273.444 5
Mid Mid (pH 6-8) 3.57 9.59 -29.34 2 2 1 16 273.444 5

Activity (Go SEA)

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