UCSF

ZINC37117209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -0.99 1.3 -37.74 3 5 1 66 214.289 3
Hi High (pH 8-9.5) -0.99 -0.07 -8.19 2 5 0 61 213.281 3

Activity (Go SEA)

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