UCSF

ZINC61822916

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 3.29 9.36 -117.9 3 2 2 21 254.462 5
Hi High (pH 8-9.5) 3.29 7.13 -36.75 2 2 1 20 253.454 5
Hi High (pH 8-9.5) 3.29 8.01 -33.87 2 2 1 16 253.454 5

Activity (Go SEA)

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