UCSF

ZINC53149055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 3.49 8.88 -31 2 3 1 31 304.776 4
Mid Mid (pH 6-8) 3.49 9.8 -62.38 2 3 1 34 304.776 4
Mid Mid (pH 6-8) 3.49 8.44 -12.58 1 3 0 29 303.768 4
Lo Low (pH 4.5-6) 3.49 10.24 -114.47 3 3 2 35 305.784 4

Activity (Go SEA)

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