UCSF

ZINC66696980

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2011 20 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) 1.22 5.48 -42.18 2 6 1 63 284.38 5
Hi High (pH 8-9.5) 1.22 3.11 -11.73 1 6 0 62 283.372 5

Activity (Go SEA)

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