UCSF

ZINC31159025

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 28 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) 2.61 6.34 -52.46 5 7 1 90 386.52 8
Hi High (pH 8-9.5) 2.61 4.13 -22.18 4 7 0 89 385.512 8

Activity (Go SEA)

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