UCSF

ZINC39331631

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 No

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) 1.16 6.37 -71.27 1 8 -1 119 375.382 6
Hi High (pH 8-9.5) 1.16 7.14 -128.52 0 8 -2 122 374.374 6

Activity (Go SEA)

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