UCSF

ZINC36723762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 20 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) 3.10 8.26 -134.49 4 3 2 35 297.874 5
Hi High (pH 8-9.5) 3.10 5.64 -2.39 2 3 0 32 295.858 5
Mid Mid (pH 6-8) 3.10 6.39 -43.99 3 3 1 34 296.866 5

Activity (Go SEA)

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