UCSF

ZINC35582246

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 21 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) 6.69 11.83 -38.62 2 1 1 17 367.376 6
Hi High (pH 8-9.5) 6.69 10.75 -2.22 1 1 0 12 366.368 6

Activity (Go SEA)

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