UCSF

ZINC35482158

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 25 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) 2.03 8.44 -54.5 2 5 1 57 409.348 5
Mid Mid (pH 6-8) 2.03 7.14 -8.96 1 5 0 53 408.34 5

Activity (Go SEA)

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