UCSF

ZINC37176854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.33 6.32 -48.4 2 5 1 72 239.295 6
Mid Mid (pH 6-8) 2.33 5.33 -7.4 1 5 0 67 238.287 6

Activity (Go SEA)

Rings

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