UCSF

ZINC19840795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 0.26 1.22 -37.41 4 5 1 73 250.322 5
Mid Mid (pH 6-8) 0.26 3.64 -83.16 5 5 2 75 251.33 5

Activity (Go SEA)

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