UCSF

ZINC31898139

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 32 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) 1.57 6.32 -63.96 4 9 1 129 478.62 8
Hi High (pH 8-9.5) 1.57 4.12 -26.94 3 9 0 127 477.612 8

Activity (Go SEA)

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