UCSF

ZINC34947040

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 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) 2.02 8.83 -11.61 2 9 0 107 389.456 8
Hi High (pH 8-9.5) 2.08 7.35 -56.81 1 9 -1 114 388.448 8

Activity (Go SEA)

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