UCSF

ZINC19436153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 1.82 2.62 -114.48 0 6 -2 101 294.263 4
Mid Mid (pH 6-8) 1.82 2.55 -48.72 1 6 -1 99 295.271 4

Activity (Go SEA)

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