UCSF

ZINC06927933

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 25 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) 5.69 6.78 -7.4 2 5 0 78 390.251 1
Ref Reference (pH 7) 5.20 6.72 -37.38 1 5 -1 77 389.243 2
Mid Mid (pH 6-8) 6.15 4.84 -42.08 1 5 -1 81 389.243 1
Mid Mid (pH 6-8) 6.15 4.98 -41.1 1 5 -1 81 389.243 1
Mid Mid (pH 6-8) 5.66 4.78 -97.67 0 5 -2 80 388.235 2

Activity (Go SEA)

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