UCSF

ZINC05790364

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 31 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) 4.00 1.67 -57.33 2 6 1 71 421.517 8
Mid Mid (pH 6-8) 2.97 2.15 -45.77 1 6 1 68 421.517 9

Activity (Go SEA)

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