UCSF

ZINC18023218

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 28 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) 2.92 8.86 -63.08 0 5 -1 70 380.395 5
Mid Mid (pH 6-8) 2.33 9.61 -23.87 0 5 0 64 381.403 5
Lo Low (pH 4.5-6) 2.92 8.03 -16.21 1 5 0 67 381.403 5

Activity (Go SEA)

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