UCSF

ZINC37303952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.16 6.47 -35.24 1 3 1 21 288.868 6
Hi High (pH 8-9.5) 2.16 4.19 -5.55 0 3 0 19 287.86 6
Mid Mid (pH 6-8) 2.16 6.46 -39.42 1 3 1 21 288.868 6

Activity (Go SEA)

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