UCSF

ZINC08922836

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 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) 3.11 7.99 -60.42 0 9 -1 101 523.606 12
Mid Mid (pH 6-8) 2.52 10.6 -52.49 1 9 1 96 525.622 12
Mid Mid (pH 6-8) 3.55 10.31 -54.63 2 9 1 99 525.622 11
Mid Mid (pH 6-8) 3.11 10.32 -81.44 1 9 0 102 524.614 12

Activity (Go SEA)

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