UCSF

ZINC06258216

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

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) 3.22 6.48 -20.4 3 9 0 132 389.371 5
Mid Mid (pH 6-8) 3.68 4.86 -36.57 2 9 -1 135 388.363 5
Mid Mid (pH 6-8) 3.68 4.6 -44.97 2 9 -1 135 388.363 5

Activity (Go SEA)

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