UCSF

ZINC05062233

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 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) 3.09 9.83 -59.49 0 8 -1 119 406.399 5
Mid Mid (pH 6-8) 2.51 9.81 -25.48 0 8 0 113 407.407 5
Mid Mid (pH 6-8) 3.53 8.76 -35.05 1 8 0 116 407.407 4

Activity (Go SEA)

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