UCSF

ZINC06813182

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 26 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) 2.81 8.23 -61.03 0 5 -1 70 350.394 6
Mid Mid (pH 6-8) 2.23 0.32 -9.71 0 5 0 63 351.402 6
Mid Mid (pH 6-8) 2.81 7.4 -13.1 1 5 0 67 351.402 6

Activity (Go SEA)

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