UCSF

ZINC35423759

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) -0.76 3.04 -46.58 2 6 1 66 256.326 4
Hi High (pH 8-9.5) -0.76 1.67 -13.99 1 6 0 62 255.318 4

Activity (Go SEA)

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