UCSF

ZINC12736669

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 32 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) 3.44 9.94 -15.47 2 7 0 95 429.524 6
Mid Mid (pH 6-8) 3.90 8.71 -51.42 2 7 0 99 429.524 6

Activity (Go SEA)

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