UCSF

ZINC09463615

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 3.55 9.44 -65.24 0 9 -1 107 524.59 12
Mid Mid (pH 6-8) 3.99 8.43 -30.54 1 9 0 104 525.598 11

Activity (Go SEA)

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