UCSF

ZINC17016594

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 22 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) 3.66 2.78 -9.59 3 5 0 86 312.35 2
Hi High (pH 8-9.5) 3.17 3.02 -116.9 1 5 -2 87 310.334 3
Mid Mid (pH 6-8) 3.17 2.23 -50.84 2 5 -1 85 311.342 3
Lo Low (pH 4.5-6) 3.17 2.72 -15.77 3 5 0 82 312.35 3

Activity (Go SEA)

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