UCSF

ZINC19523686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 29 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) -3.01 5.46 -30.89 3 9 1 106 397.459 5
Mid Mid (pH 6-8) -3.01 7.8 -83.29 4 9 2 107 398.467 5

Activity (Go SEA)

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