UCSF

ZINC25149345

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 29 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) 4.69 11.43 -18.16 1 5 0 56 427.957 8
Lo Low (pH 4.5-6) 4.69 11.89 -32.82 2 5 1 57 428.965 8

Activity (Go SEA)

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