UCSF

ZINC62187415

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 16 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) 2.38 5.42 -37.59 2 2 1 20 219.352 4
Hi High (pH 8-9.5) 2.38 4.11 -2.08 1 2 0 15 218.344 4
Mid Mid (pH 6-8) 2.38 6.53 -34.18 2 2 1 16 219.352 4
Lo Low (pH 4.5-6) 2.38 7.83 -110.94 3 2 2 21 220.36 4

Activity (Go SEA)

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