UCSF

ZINC20324508

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 30 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) 3.66 8.06 -50.58 0 7 -1 97 419.438 5
Lo Low (pH 4.5-6) 3.20 9.84 -14.92 1 7 0 94 420.446 5

Activity (Go SEA)

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