UCSF

ZINC62978170

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 1.21 2.17 -45.91 3 4 1 43 290.431 5
Mid Mid (pH 6-8) 1.21 4.38 -93.57 4 4 2 45 291.439 5
Lo Low (pH 4.5-6) 1.21 6.69 -205.22 5 4 3 46 292.447 5
Lo Low (pH 4.5-6) 1.21 4.48 -115.01 4 4 2 45 291.439 5

Activity (Go SEA)

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