UCSF

ZINC06160689

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 30 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) 3.56 1.49 -45.95 2 6 1 71 407.49 8
Mid Mid (pH 6-8) 2.52 1.31 -47.71 1 6 1 68 407.49 9

Activity (Go SEA)

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