UCSF

ZINC37082139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.79 3.67 -112.67 4 4 2 51 244.379 3
Hi High (pH 8-9.5) 0.79 3.36 -28.54 3 4 1 49 243.371 3
Mid Mid (pH 6-8) 0.79 1.85 -40.55 3 4 1 49 243.371 3

Activity (Go SEA)

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