UCSF

ZINC20138133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 29 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) 2.61 6.66 -23.61 2 7 0 92 406.467 5
Hi High (pH 8-9.5) 2.61 6.73 -43.95 1 7 -1 90 405.459 5

Activity (Go SEA)

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