UCSF

ZINC37037954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 Yes

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) -1.04 5.21 -118.7 4 6 2 70 295.431 4
Hi High (pH 8-9.5) -1.04 4.83 -44.07 3 6 1 69 294.423 4
Mid Mid (pH 6-8) -1.04 3.4 -52.68 3 6 1 69 294.423 4

Activity (Go SEA)

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