UCSF

ZINC37081208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 10 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) -0.76 0.94 -42.02 3 3 1 48 143.21 2
Hi High (pH 8-9.5) -0.76 0.61 -8.49 2 3 0 46 142.202 2

Activity (Go SEA)

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