UCSF

ZINC30680118

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 25 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) 3.34 10.33 -44.32 2 4 1 46 334.443 6
Hi High (pH 8-9.5) 3.34 8.21 -10.38 1 4 0 45 333.435 6

Activity (Go SEA)

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