UCSF

ZINC06382643

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 30 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) 2.47 8.82 -59.03 0 9 -1 133 407.358 6
Mid Mid (pH 6-8) 2.92 1.41 -33.85 1 9 0 129 408.366 5
Mid Mid (pH 6-8) 1.89 1.58 -26.61 0 9 0 126 408.366 6

Activity (Go SEA)

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