UCSF

ZINC32111295

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 1.82 3.23 -7.79 2 3 0 45 260.312 5
Mid Mid (pH 6-8) 1.82 4.71 -53.61 3 3 1 50 261.32 5

Activity (Go SEA)

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