UCSF

ZINC33807288

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -4.59 -5.88 -208.36 5 13 -3 232 386.226 7
Mid Mid (pH 6-8) -4.59 -7.04 -105.15 6 13 -2 229 387.234 7

Activity (Go SEA)

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