UCSF

ZINC12574585

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 30 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) 2.46 6.08 -56.38 0 7 -1 86 429.88 7
Mid Mid (pH 6-8) 2.91 7.31 -61.73 2 7 1 84 431.896 6
Mid Mid (pH 6-8) 2.46 8.41 -75.35 1 7 0 87 430.888 7

Activity (Go SEA)

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