UCSF

ZINC51397738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 15 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) 1.29 4.77 -41.04 3 3 1 44 204.297 2
Hi High (pH 8-9.5) 1.29 4.36 -6.84 2 3 0 42 203.289 2
Mid Mid (pH 6-8) 1.29 4.71 -22.7 3 3 1 43 204.297 2
Lo Low (pH 4.5-6) 1.29 5.1 -102.58 4 3 2 45 205.305 2

Activity (Go SEA)

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