UCSF

ZINC25424246

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 39 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) 6.20 14.59 -19.19 2 7 0 115 523.633 8
Lo Low (pH 4.5-6) 6.20 14.91 -41.75 3 7 1 117 524.641 8

Activity (Go SEA)

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