UCSF

ZINC34947045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 27 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) 1.74 8.08 -11.56 2 9 0 107 375.429 7
Hi High (pH 8-9.5) 1.81 6.61 -57.17 1 9 -1 114 374.421 7

Activity (Go SEA)

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