UCSF

ZINC03168057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 7.08 13.88 -10.65 0 4 0 43 452.579 8
Lo Low (pH 4.5-6) 7.08 14.2 -43.21 1 4 1 45 453.587 8

Activity (Go SEA)

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