UCSF

ZINC37023749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 9 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) 0.17 5.36 -43.59 1 2 1 28 125.195 3
Hi High (pH 8-9.5) 0.17 3.07 -5.33 0 2 0 27 124.187 3

Activity (Go SEA)

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