UCSF

ZINC41687178

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 2.49 6.2 -40.73 2 5 1 59 305.427 6
Hi High (pH 8-9.5) 2.49 4.17 -6.93 1 5 0 58 304.419 6

Activity (Go SEA)

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