UCSF

ZINC39383035

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 21 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) -2.01 0.23 -24.96 4 10 0 142 297.271 6
Mid Mid (pH 6-8) -1.55 -1.58 -70.19 3 10 -1 145 296.263 6

Activity (Go SEA)

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