UCSF

ZINC54111009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 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) 2.29 8.59 -42.33 2 5 1 62 280.392 8
Hi High (pH 8-9.5) 2.29 6.33 -6.49 1 5 0 61 279.384 8
Mid Mid (pH 6-8) 2.29 9.79 -128.28 3 5 2 67 281.4 8
Mid Mid (pH 6-8) 2.29 7.52 -50.8 2 5 1 66 280.392 8

Activity (Go SEA)

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