UCSF

ZINC37020382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.13 2.63 -88.44 5 6 2 79 284.404 4
Hi High (pH 8-9.5) 0.13 1.29 -43.39 4 6 1 75 283.396 4

Activity (Go SEA)

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