UCSF

ZINC09046458

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 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) 5.44 13.57 -51.84 0 8 -1 119 484.513 5
Mid Mid (pH 6-8) 4.86 13.82 -14.7 0 8 0 113 485.521 5
Mid Mid (pH 6-8) 5.44 13.45 -17.62 1 8 0 116 485.521 5

Activity (Go SEA)

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