UCSF

ZINC45384778

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 35 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) 5.84 13.14 -105.42 1 5 -2 100 486.693 5
Lo Low (pH 4.5-6) 5.84 11.39 -58.6 2 5 -1 98 487.701 5
Lo Low (pH 4.5-6) 5.84 9.21 -11.24 3 5 0 95 488.709 5

Activity (Go SEA)

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