UCSF

ZINC04270367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 28 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) 3.86 -5.54 -19.16 2 6 0 88 413.524 5
Hi High (pH 8-9.5) 3.86 -4.96 -54.9 1 6 -1 90 412.516 5

Activity (Go SEA)

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