UCSF

ZINC32050558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 20 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) 0.72 3.78 -53.32 2 5 1 49 284.424 3
Mid Mid (pH 6-8) 0.72 5.01 -94.08 3 5 2 51 285.432 3
Mid Mid (pH 6-8) 0.72 3.58 -35.61 2 5 1 46 284.424 3
Mid Mid (pH 6-8) 0.72 2.35 -8.86 1 5 0 45 283.416 3

Activity (Go SEA)

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