UCSF

ZINC04113465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 31 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) 7.19 8.99 -47.26 2 6 -1 97 451.289 4
Hi High (pH 8-9.5) 7.19 9.76 -91.51 1 6 -2 100 450.281 4
Hi High (pH 8-9.5) 7.19 8.5 -100.39 1 6 -2 100 450.281 4
Mid Mid (pH 6-8) 7.19 7.99 -11.59 3 6 0 94 452.297 4
Mid Mid (pH 6-8) 5.53 8.47 -57.42 2 6 -1 97 451.289 4
Mid Mid (pH 6-8) 7.19 6.72 -10.44 3 6 0 94 452.297 4

Activity (Go SEA)

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