UCSF

ZINC37156235

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) 3.83 11.07 -103.75 3 3 2 36 279.472 6
Mid Mid (pH 6-8) 3.83 10.56 -39.82 2 3 1 34 278.464 6

Activity (Go SEA)

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