UCSF

ZINC62187416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 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) 2.76 6.55 -36.91 2 2 1 20 233.379 5
Hi High (pH 8-9.5) 2.76 5.34 -1.79 1 2 0 15 232.371 5
Mid Mid (pH 6-8) 2.76 7.32 -35.08 2 2 1 16 233.379 5
Lo Low (pH 4.5-6) 2.76 8.53 -112.59 3 2 2 21 234.387 5

Activity (Go SEA)

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