UCSF

ZINC08681869

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 32 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) 4.46 8.76 -138.59 1 7 -2 127 426.38 3
Mid Mid (pH 6-8) 4.46 8.16 -62.11 2 7 -1 124 427.388 3
Lo Low (pH 4.5-6) 4.46 7.56 -29.87 3 7 0 121 428.396 3

Activity (Go SEA)

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