UCSF

ZINC20880521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 21 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) 3.91 7.74 -56.45 1 4 -1 61 284.335 6
Lo Low (pH 4.5-6) 3.91 6.63 -10.87 2 4 0 59 285.343 6

Activity (Go SEA)

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