UCSF

ZINC36869937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.32 0.2 -123.39 4 5 2 75 266.407 6
Hi High (pH 8-9.5) -0.32 -2.38 -50.17 3 5 1 74 265.399 6
Mid Mid (pH 6-8) -0.32 0.74 -56.18 3 5 1 78 265.399 6

Activity (Go SEA)

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