UCSF

ZINC54802580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 23 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) 3.88 8.18 -9.8 1 4 0 63 366.225 3
Mid Mid (pH 6-8) 4.95 6.47 -49.31 0 4 -1 66 365.217 3

Activity (Go SEA)

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