UCSF

ZINC27657324

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 13 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) 1.61 5.44 -120.69 4 2 2 33 180.295 5
Mid Mid (pH 6-8) 1.61 4.02 -36.62 3 2 1 29 179.287 5

Activity (Go SEA)

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