UCSF

ZINC06187841

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 2.40 7.12 -60.76 1 7 -1 107 375.36 4
Mid Mid (pH 6-8) 2.85 0.38 -26.43 2 7 0 103 376.368 3

Activity (Go SEA)

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