UCSF

ZINC08744061

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 23 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) -0.23 1.53 -67.79 1 7 -1 107 313.289 5
Mid Mid (pH 6-8) 0.21 1.82 -25.61 2 7 0 104 314.297 4
Lo Low (pH 4.5-6) -0.82 3.24 -48.3 2 7 1 102 315.305 5
Lo Low (pH 4.5-6) -0.23 1.16 -47.71 3 7 1 105 315.305 5

Activity (Go SEA)

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