UCSF

ZINC31897609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 26 Yes

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) 3.83 12.61 -54.65 1 4 1 39 374.505 6
Hi High (pH 8-9.5) 3.83 10.31 -12.37 0 4 0 38 373.497 6

Activity (Go SEA)

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