UCSF

ZINC35635985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 32 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) 3.37 7.46 -65.07 3 5 1 71 430.524 3
Hi High (pH 8-9.5) 3.37 5.74 -16.31 2 5 0 70 429.516 3

Activity (Go SEA)

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