UCSF

ZINC39113769

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 1.91 3.55 -36.44 2 2 1 20 171.308 4
Mid Mid (pH 6-8) 1.91 4.39 -28.98 2 2 1 16 171.308 4
Lo Low (pH 4.5-6) 1.91 5.75 -108.49 3 2 2 21 172.316 4

Activity (Go SEA)

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