UCSF

ZINC39949595

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 13 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) 1.42 4.33 -117.16 4 2 2 33 178.279 1
Hi High (pH 8-9.5) 1.42 1.87 -1.84 2 2 0 24 176.263 1
Hi High (pH 8-9.5) 1.42 2.99 -35.21 3 2 1 29 177.271 1
Mid Mid (pH 6-8) 1.42 3.23 -40.01 3 2 1 29 177.271 1

Activity (Go SEA)

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