UCSF

ZINC06813928

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 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) 3.43 8.76 -62.59 0 5 -1 70 396.85 5
Mid Mid (pH 6-8) 3.88 8.42 -21.06 1 5 0 67 397.858 4

Activity (Go SEA)

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