UCSF

ZINC16905057

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 15 No

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) 1.58 -0.05 -16.51 3 4 0 76 220.253 1
Hi High (pH 8-9.5) 1.07 1.74 -42.04 2 4 -1 80 219.245 1
Hi High (pH 8-9.5) 1.58 0.76 -95.45 1 4 -2 77 218.237 1
Mid Mid (pH 6-8) 1.58 -0.01 -41.01 2 4 -1 74 219.245 1

Activity (Go SEA)

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