UCSF

ZINC21800001

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 3.44 7.96 -22.36 1 5 0 50 368.868 3
Mid Mid (pH 6-8) 3.44 10.18 -56.36 2 5 1 51 369.876 3
Mid Mid (pH 6-8) 3.44 8.37 -32.57 2 5 1 51 369.876 3
Lo Low (pH 4.5-6) 3.44 10.59 -106.41 3 5 2 53 370.884 3

Activity (Go SEA)

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