UCSF

ZINC00898442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 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) 4.46 15.42 -23.5 1 6 0 77 442.544 8
Hi High (pH 8-9.5) 5.21 14.34 -58.58 1 6 -1 83 441.536 7

Activity (Go SEA)

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