UCSF

ZINC05063200

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 27 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) 4.93 9.55 -41.37 2 4 1 43 376.561 7
Hi High (pH 8-9.5) 4.93 7.4 -6.82 1 4 0 42 375.553 7

Activity (Go SEA)

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