UCSF

ZINC12613816

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 27 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) 2.20 6.06 -47.41 3 7 1 79 388.879 5
Mid Mid (pH 6-8) 2.20 3.59 -14.38 2 7 0 78 387.871 5

Activity (Go SEA)

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