UCSF

ZINC43900606

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.51 6.9 -40.04 2 2 1 20 315.281 7
Hi High (pH 8-9.5) 3.51 5.15 -5.38 1 2 0 15 314.273 7

Activity (Go SEA)

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