UCSF

ZINC62187422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 18 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) 3.26 6.98 -37.9 2 2 1 20 247.406 6
Hi High (pH 8-9.5) 3.26 5.8 -1.59 1 2 0 15 246.398 6
Mid Mid (pH 6-8) 3.26 8.19 -34.44 2 2 1 16 247.406 6
Lo Low (pH 4.5-6) 3.26 9.38 -112.69 3 2 2 21 248.414 6

Activity (Go SEA)

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