UCSF

ZINC21036782

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 19 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) 3.42 10.35 -115.91 3 2 2 21 262.441 7
Hi High (pH 8-9.5) 3.42 8.27 -39.18 2 2 1 20 261.433 7
Hi High (pH 8-9.5) 3.42 9.02 -33.43 2 2 1 16 261.433 7

Activity (Go SEA)

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