UCSF

ZINC25143729

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 4.77 12.81 -29.64 1 6 0 69 438.94 6
Hi High (pH 8-9.5) 4.96 11.74 -50.11 0 6 -1 75 437.932 6

Activity (Go SEA)

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