UCSF

ZINC12042405

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2008 33 No

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) 6.30 13.42 -9.83 1 6 0 72 508.471 11
Hi High (pH 8-9.5) 6.83 12.35 -45.25 0 6 -1 74 507.463 12

Activity (Go SEA)

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