UCSF

ZINC44691857

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.38 4.25 -48.36 3 4 1 55 251.35 7
Hi High (pH 8-9.5) 1.38 3.01 -9.17 2 4 0 50 250.342 7

Activity (Go SEA)

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