UCSF

ZINC35514657

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) 5.20 13.09 -12.93 0 5 0 63 416.864 3
Lo Low (pH 4.5-6) 5.20 13.52 -32.82 1 5 1 65 417.872 3

Activity (Go SEA)

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