UCSF

ZINC34881112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 6.15 12.29 -10.46 1 5 0 48 460.416 7
Mid Mid (pH 6-8) 6.15 12.26 -33.74 2 5 1 52 461.424 7
Mid Mid (pH 6-8) 6.15 12.75 -28.75 2 5 1 49 461.424 7
Lo Low (pH 4.5-6) 6.15 12.7 -92.58 3 5 2 54 462.432 7

Activity (Go SEA)

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