UCSF

ZINC37144252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 2.04 5.82 -35.69 3 4 1 43 294.444 6
Hi High (pH 8-9.5) 2.04 3.54 -12.79 2 4 0 42 293.436 6
Mid Mid (pH 6-8) 2.04 5.83 -32.94 3 4 1 43 294.444 6

Activity (Go SEA)

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