UCSF

ZINC33862499

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 26 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) 2.26 7.67 -55.35 4 4 1 70 386.928 6
Mid Mid (pH 6-8) 2.26 7.34 -8.95 3 4 0 68 385.92 6

Activity (Go SEA)

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