UCSF

ZINC34747708

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 23 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) 2.43 11.13 -52.02 1 5 1 43 331.465 3
Mid Mid (pH 6-8) 2.43 8.88 -11 0 5 0 41 330.457 3

Activity (Go SEA)

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