UCSF

ZINC37117048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.31 5.33 -49.21 3 6 1 92 269.321 7
Mid Mid (pH 6-8) 2.31 4.94 -6.27 2 6 0 90 268.313 7

Activity (Go SEA)

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