UCSF

ZINC17073545

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2008 25 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) 3.82 6.21 -12.28 0 5 0 47 355.825 3
Ref Reference (pH 7) 3.82 6.49 -9.64 0 5 0 47 355.825 3
Lo Low (pH 4.5-6) 3.82 8.53 -45.11 1 5 1 48 356.833 3

Activity (Go SEA)

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