UCSF

ZINC08743819

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 35 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) 3.39 10.89 -56.3 4 7 1 95 493.031 6
Mid Mid (pH 6-8) 3.39 11.35 -120.71 5 7 2 96 494.039 6

Activity (Go SEA)

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