UCSF

ZINC37855941

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.25 0.57 -128.37 4 5 2 75 266.407 7
Hi High (pH 8-9.5) -0.25 -0.58 -32.54 2 5 0 74 264.391 7
Mid Mid (pH 6-8) -0.25 -1.13 -45.69 3 5 1 71 265.399 7

Activity (Go SEA)

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