UCSF

ZINC08872281

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 37 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) 5.03 19.97 -18.15 1 11 0 118 505.579 9
Lo Low (pH 4.5-6) 5.03 20.29 -35.95 2 11 1 119 506.587 9

Activity (Go SEA)

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