UCSF

ZINC34526685

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 5.18 14.04 -40.72 1 1 1 4 328.907 6
Hi High (pH 8-9.5) 5.18 11.81 -3.44 0 1 0 3 327.899 6

Activity (Go SEA)

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