UCSF

ZINC09050333

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 19 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) 2.62 -2.09 -10.04 2 5 0 70 361.652 4
Hi High (pH 8-9.5) 2.62 5.79 -39.47 1 5 -1 69 360.644 4

Activity (Go SEA)

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