UCSF

ZINC31868560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.27 7.29 -47.43 3 6 1 71 336.485 8
Hi High (pH 8-9.5) 2.27 4.98 -11.8 2 6 0 70 335.477 8

Activity (Go SEA)

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