UCSF

ZINC61757150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 22 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) 1.11 7.63 -44.07 1 5 1 43 305.398 4
Hi High (pH 8-9.5) 1.11 5.25 -12.4 0 5 0 42 304.39 4

Activity (Go SEA)

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