UCSF

ZINC08063809

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 24 Yes

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) 4.74 10.84 -34.05 2 4 1 46 385.285 4
Mid Mid (pH 6-8) 4.74 10.5 -15.86 1 4 0 45 384.277 4

Activity (Go SEA)

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