UCSF

ZINC37333836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 1.80 7.83 -53.1 1 5 1 67 223.252 5
Mid Mid (pH 6-8) 1.80 5.56 -14.24 0 5 0 66 222.244 5

Activity (Go SEA)

Rings

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