UCSF

ZINC05344212

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 21 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) 4.13 6.21 -45.33 1 6 -1 101 326.115 3
Mid Mid (pH 6-8) 4.13 5.2 -9.94 2 6 0 99 327.123 3

Activity (Go SEA)

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