UCSF

ZINC12823502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 28 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) 5.14 12.05 -13.57 1 5 0 60 429.332 4
Mid Mid (pH 6-8) 5.14 12.27 -31.91 2 5 1 61 430.34 4

Activity (Go SEA)

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