UCSF

ZINC37833338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) 1.28 4.38 -8.67 0 4 0 33 274.792 3
Mid Mid (pH 6-8) 1.28 6.32 -46.85 1 4 1 34 275.8 3

Activity (Go SEA)

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