UCSF

ZINC24116157

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 37 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) 5.94 14.73 -67.7 1 6 0 74 504.671 12
Hi High (pH 8-9.5) 5.94 12.53 -59.08 0 6 -1 73 503.663 12

Activity (Go SEA)

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