UCSF

ZINC41669457

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 5.34 8.34 -9.06 0 6 0 61 475.463 5
Mid Mid (pH 6-8) 5.34 11.33 -48.56 1 6 1 62 476.471 5

Activity (Go SEA)

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