UCSF

ZINC09339586

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 35 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) 2.99 6.6 -59.74 0 8 -1 95 479.484 7
Mid Mid (pH 6-8) 3.44 9.11 -43.56 2 8 1 94 481.5 6
Mid Mid (pH 6-8) 2.99 8.94 -68.94 1 8 0 96 480.492 7

Activity (Go SEA)

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