UCSF

ZINC34542121

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 37 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) 3.37 6.23 -18.81 2 9 0 105 498.539 6
Lo Low (pH 4.5-6) 3.37 7.21 -30.38 3 9 1 107 499.547 6

Activity (Go SEA)

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