UCSF

ZINC01283846

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 33 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) 5.55 15.1 -19.88 1 6 0 69 481.021 5
Hi High (pH 8-9.5) 5.73 15 -48.17 0 6 -1 71 480.013 5

Activity (Go SEA)

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