UCSF

ZINC42047698

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.95 6.84 -20.15 2 9 0 130 377.426 7
Hi High (pH 8-9.5) 2.13 5.09 -45.45 1 9 -1 136 376.418 7

Activity (Go SEA)

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