UCSF

ZINC33753311

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.75 2.96 -7.15 3 4 0 73 237.299 8
Mid Mid (pH 6-8) 0.75 3.29 -43.78 4 4 1 74 238.307 8

Activity (Go SEA)

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