UCSF

ZINC58809019

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 24 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) 2.76 6.72 -43.09 3 5 1 63 346.373 8
Hi High (pH 8-9.5) 2.58 5.95 -37.19 2 5 0 69 345.365 8

Activity (Go SEA)

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