UCSF

ZINC28022442

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 19 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) 4.30 4.88 -7.77 0 4 0 51 267.313 2
Lo Low (pH 4.5-6) 4.30 5.32 -43.37 1 4 1 53 268.321 2

Activity (Go SEA)

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