UCSF

ZINC00568420

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 5.11 10.94 -55.26 2 3 0 34 331.867 5
Mid Mid (pH 6-8) 5.11 10.87 -10.93 1 3 0 32 330.859 5

Activity (Go SEA)

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