UCSF

ZINC58561875

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 21 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) 3.04 5.72 -45.44 2 4 1 51 335.852 5
Hi High (pH 8-9.5) 3.04 3.63 -7.92 1 4 0 49 334.844 5

Activity (Go SEA)

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