UCSF

ZINC55448174

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 29 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) 3.17 8.46 -13.16 1 5 0 53 415.534 3
Mid Mid (pH 6-8) 3.23 9.01 -49.89 2 5 1 57 416.542 3

Activity (Go SEA)

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