UCSF

ZINC10628055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2007 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) 1.77 -0.32 -21.16 1 8 0 88 391.357 4
Lo Low (pH 4.5-6) 1.77 -0.21 -50.71 2 8 1 90 392.365 4

Activity (Go SEA)

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