UCSF

ZINC20310419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 36 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) 3.83 7.57 -68.79 1 8 -1 102 493.58 10
Hi High (pH 8-9.5) 3.83 8.61 -135.37 0 8 -2 105 492.572 10
Mid Mid (pH 6-8) 3.83 9.91 -80.07 2 8 0 104 494.588 10

Activity (Go SEA)

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