UCSF

ZINC24905057

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 28 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) 4.86 10.33 -47.82 3 5 1 63 390.454 10
Hi High (pH 8-9.5) 4.86 8.35 -14.4 2 5 0 61 389.446 10

Activity (Go SEA)

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