UCSF

ZINC15018358

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 31 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) 7.98 15.86 -10.19 0 3 0 34 430.548 5
Lo Low (pH 4.5-6) 7.98 14.94 -27.83 1 3 1 36 431.556 5
Lo Low (pH 4.5-6) 7.98 16.07 -25.71 1 3 1 36 431.556 5

Activity (Go SEA)

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