UCSF

ZINC37184139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 2.21 4.9 -45.83 2 3 1 29 290.214 4
Hi High (pH 8-9.5) 2.21 3.94 -3.25 1 3 0 24 289.206 4
Mid Mid (pH 6-8) 2.21 6.43 -40.38 2 3 1 26 290.214 4
Lo Low (pH 4.5-6) 2.21 7.37 -126.74 3 3 2 30 291.222 4

Activity (Go SEA)

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