UCSF

ZINC41671644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) -0.73 4.6 -82.64 1 7 0 92 238.247 4
Mid Mid (pH 6-8) -0.73 2.39 -52.24 0 7 -1 91 237.239 4

Activity (Go SEA)

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