UCSF

ZINC37141031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 2.60 9.26 -34.55 2 2 1 16 277.407 5
Mid Mid (pH 6-8) 2.61 7.96 -42.91 2 2 1 20 277.407 5

Activity (Go SEA)

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