UCSF

ZINC60219988

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 5.62 9.39 -6.31 1 3 0 47 393.252 6
Mid Mid (pH 6-8) 5.62 10.15 -46.4 0 3 -1 49 392.244 6

Activity (Go SEA)

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