UCSF

ZINC19634928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 21 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) 3.46 9.48 -39.44 1 5 1 53 314.837 9
Hi High (pH 8-9.5) 3.46 7.32 -4.12 0 5 0 52 313.829 9
Mid Mid (pH 6-8) 3.46 9.4 -38.65 1 5 1 53 314.837 9

Activity (Go SEA)

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