UCSF

ZINC11535676

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 16 No

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) 1.48 4.24 -7.43 1 3 0 41 218.3 0
Mid Mid (pH 6-8) 1.81 -3.39 -99.36 2 3 2 45 220.316 0

Activity (Go SEA)

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