UCSF

ZINC41201336

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 3.38 7.19 -31.06 2 2 1 29 251.419 4
Hi High (pH 8-9.5) 3.38 6.42 -4.38 1 2 0 25 250.411 4

Activity (Go SEA)

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