UCSF

ZINC41474735

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 15 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) 4.03 6.24 -29.4 2 2 1 26 221.711 2
Hi High (pH 8-9.5) 4.03 5.8 -4.94 1 2 0 25 220.703 2

Activity (Go SEA)

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