UCSF

ZINC35505054

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 4.61 11.34 -12.18 1 5 0 50 418.928 6
Lo Low (pH 4.5-6) 4.61 12.08 -27.27 2 5 0 51 419.936 6

Activity (Go SEA)

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