UCSF

ZINC09459042

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 2.98 6.73 -65.56 1 7 -1 99 438.5 11
Mid Mid (pH 6-8) 3.43 5.64 -32.37 2 7 0 96 439.508 10
Mid Mid (pH 6-8) 2.40 6.62 -25.93 1 7 0 93 439.508 11
Mid Mid (pH 6-8) -0.15 -0.13 -14.76 1 8 0 102 329.378 3

Activity (Go SEA)

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