UCSF

ZINC53276674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 20 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) 2.56 2.82 -11.14 2 4 0 71 272.231 1
Hi High (pH 8-9.5) 2.56 3.59 -40.86 1 4 -1 73 271.223 1

Activity (Go SEA)

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