UCSF

ZINC58160975

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 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) 2.54 8.19 -48.52 2 6 1 61 317.413 8
Hi High (pH 8-9.5) 2.54 6.05 -15.21 1 6 0 59 316.405 8

Activity (Go SEA)

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