UCSF

ZINC37104533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.59 6.66 -9.77 2 5 0 78 306.749 5
Hi High (pH 8-9.5) 4.59 7.42 -37.52 1 5 -1 81 305.741 5

Activity (Go SEA)

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