UCSF

ZINC28226779

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 26 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) 4.02 8.07 -63.96 0 5 -1 74 400.892 4
Mid Mid (pH 6-8) 4.02 7.85 -18.41 1 5 0 72 401.9 4
Lo Low (pH 4.5-6) 4.95 8.64 -36.56 2 5 1 76 402.908 3
Lo Low (pH 4.5-6) 4.02 8.6 -47.8 1 5 0 75 401.9 4

Activity (Go SEA)

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