UCSF

ZINC37140847

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) 3.25 9.81 -33.11 2 2 1 16 338.313 5
Mid Mid (pH 6-8) 3.25 8.36 -42.38 2 2 1 20 338.313 5

Activity (Go SEA)

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