UCSF

ZINC58089932

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 23 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) 1.42 5.27 -45.97 3 6 1 76 322.429 7
Hi High (pH 8-9.5) 1.42 3.3 -11.74 2 6 0 75 321.421 7

Activity (Go SEA)

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