UCSF

ZINC09425069

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 38 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) 3.60 10.21 -61.56 0 9 -1 107 524.59 13
Mid Mid (pH 6-8) 4.05 8.59 -31.19 1 9 0 104 525.598 12

Activity (Go SEA)

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