UCSF

ZINC19428708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 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) 0.03 1.23 -45.6 3 4 1 57 201.29 3
Mid Mid (pH 6-8) 0.03 0.91 -8.78 2 4 0 56 200.282 3

Activity (Go SEA)

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