UCSF

ZINC21659103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 36 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) 4.27 8.95 -16.69 2 8 0 90 480.524 3
Hi High (pH 8-9.5) 4.27 9.74 -43.07 1 8 -1 93 479.516 3

Activity (Go SEA)

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