UCSF

ZINC34327066

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 18 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) -0.42 -0.89 -39.73 4 6 1 91 260.31 4
Hi High (pH 8-9.5) -0.42 -3.32 -8.23 3 6 0 90 259.302 4

Activity (Go SEA)

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