UCSF

ZINC31897821

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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 11.47 -49.48 1 6 1 66 366.507 9
Hi High (pH 8-9.5) 2.27 9.18 -11.68 0 6 0 64 365.499 9

Activity (Go SEA)

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