UCSF

ZINC16904399

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 23 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) 3.63 5.74 -10.66 1 5 0 67 325.393 2
Lo Low (pH 4.5-6) 3.63 6.02 -49.35 2 5 1 69 326.401 2

Activity (Go SEA)

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