UCSF

ZINC04276607

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 30 Yes

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) 6.06 11.37 -6.07 2 6 0 93 426.594 9
Hi High (pH 8-9.5) 6.06 12.18 -45.73 1 6 -1 96 425.586 9

Activity (Go SEA)

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