UCSF

ZINC37098440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) -0.60 -0.84 -54.59 3 4 1 65 181.281 5
Hi High (pH 8-9.5) -0.60 -1.23 -8.69 2 4 0 63 180.273 5

Activity (Go SEA)

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