UCSF

ZINC37800928

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.46 2.93 -50.56 3 6 1 69 297.423 8
Mid Mid (pH 6-8) 0.46 5.06 -103.8 4 6 2 70 298.431 8

Activity (Go SEA)

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