UCSF

ZINC06309644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 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) 1.98 7.64 -55.59 1 6 -1 94 385.399 5
Mid Mid (pH 6-8) 2.43 5.83 -28.5 2 6 0 91 386.407 4
Mid Mid (pH 6-8) 1.40 6.79 -19.84 1 6 0 88 386.407 5

Activity (Go SEA)

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