UCSF

ZINC24080973

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 34 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) 3.92 12.24 -70.95 1 7 0 83 464.562 11
Hi High (pH 8-9.5) 3.92 9.71 -56.73 0 7 -1 82 463.554 11

Activity (Go SEA)

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