UCSF

ZINC34555025

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 No

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) 1.37 9.19 -52.26 0 4 -1 74 253.661 6
Hi High (pH 8-9.5) 2.56 8.05 -105.72 0 4 -2 80 252.653 5

Activity (Go SEA)

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