UCSF

ZINC25412760

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.09 3.02 -8.51 1 6 0 60 322.405 5
Lo Low (pH 4.5-6) 2.09 4.95 -37.12 2 6 1 61 323.413 5

Activity (Go SEA)

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