UCSF

ZINC05092555

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 30 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) 1.24 2.53 -13.91 3 9 0 128 405.414 5
Lo Low (pH 4.5-6) 1.24 2.99 -39.97 4 9 1 130 406.422 5
Lo Low (pH 4.5-6) 1.24 2.17 -60.05 4 9 1 130 406.422 5
Lo Low (pH 4.5-6) 1.24 2.33 -42.05 4 9 1 130 406.422 5

Activity (Go SEA)

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