UCSF

ZINC26397139

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 39 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) 5.80 16.19 -68.65 1 9 0 101 523.641 12
Hi High (pH 8-9.5) 5.80 13.62 -54.54 0 9 -1 100 522.633 12
Mid Mid (pH 6-8) 5.80 16.59 -91.93 2 9 1 103 524.649 12
Lo Low (pH 4.5-6) 5.80 16.72 -85.15 3 9 2 104 525.657 12

Activity (Go SEA)

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