UCSF

ZINC25470265

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 4.80 12.79 -19.92 1 5 0 66 461.612 5
Hi High (pH 8-9.5) 5.26 11.68 -51.21 0 5 -1 69 460.604 5

Activity (Go SEA)

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