UCSF

ZINC09274039

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 6.01 12.84 -61 0 5 -1 73 479.99 4
Mid Mid (pH 6-8) 6.01 12.46 -14.81 1 5 0 71 480.998 4
Mid Mid (pH 6-8) 5.43 -1.11 -13.9 0 5 0 67 480.998 4

Activity (Go SEA)

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