UCSF

ZINC08845139

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 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) 3.25 8.11 -15.09 2 8 0 101 470.529 8
Mid Mid (pH 6-8) 3.25 8.87 -54.26 1 8 -1 103 469.521 8
Lo Low (pH 4.5-6) 3.25 8.58 -43.99 3 8 1 102 471.537 8

Activity (Go SEA)

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