UCSF

ZINC34594255

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 2.27 9.22 -91.72 4 5 2 55 289.427 7
Hi High (pH 8-9.5) 2.27 7.12 -28.51 3 5 1 54 288.419 7

Activity (Go SEA)

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