UCSF

ZINC53131840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.66 9.6 -43.16 2 2 1 29 269.412 6
Lo Low (pH 4.5-6) 3.66 10.07 -98.97 3 2 2 31 270.42 6

Activity (Go SEA)

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