UCSF

ZINC23333931

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.09 9.4 -15.6 0 7 0 72 460.578 6
Mid Mid (pH 6-8) 4.09 11.62 -58.61 1 7 1 73 461.586 6

Activity (Go SEA)

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