UCSF

ZINC60707464

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 3.25 8.31 -44.84 3 2 1 41 269.412 5
Hi High (pH 8-9.5) 3.25 8.01 -4.99 2 2 0 39 268.404 5
Lo Low (pH 4.5-6) 3.25 8.78 -108.53 4 2 2 42 270.42 5

Activity (Go SEA)

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