UCSF

ZINC31898358

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 34 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) 3.57 15.08 -53.91 2 6 1 68 481.686 7
Hi High (pH 8-9.5) 3.57 12.64 -17.78 1 6 0 67 480.678 7

Activity (Go SEA)

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