UCSF

ZINC09007669

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 32 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) 4.73 12.27 -58.62 0 5 -1 73 445.926 6
Mid Mid (pH 6-8) 4.15 0.21 -9.16 0 5 0 67 446.934 6
Lo Low (pH 4.5-6) 5.18 0.56 -42.86 2 5 1 71 447.942 5
Lo Low (pH 4.5-6) 4.15 0.42 -41.82 1 5 1 68 447.942 6
Lo Low (pH 4.5-6) 4.73 11.44 -14.77 1 5 0 71 446.934 6

Activity (Go SEA)

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