UCSF

ZINC35765353

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 17 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) 1.33 6.37 -25.07 3 3 1 43 234.367 5
Hi High (pH 8-9.5) 1.33 4.49 -2.72 2 3 0 42 233.359 5
Mid Mid (pH 6-8) 1.33 6.05 -114.18 4 3 2 45 235.375 5
Mid Mid (pH 6-8) 1.33 4.86 -46.3 3 3 1 44 234.367 5
Lo Low (pH 4.5-6) 1.33 4.12 -99.13 4 3 2 45 235.375 5

Activity (Go SEA)

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