UCSF

ZINC20453181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 26 Yes

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) 1.06 6.87 -52.74 2 6 1 57 365.542 6
Lo Low (pH 4.5-6) 1.06 6.7 -49.37 2 6 1 57 365.542 6
Lo Low (pH 4.5-6) 1.06 9.17 -113.65 3 6 2 58 366.55 6

Activity (Go SEA)

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