UCSF

ZINC32070608

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 18 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) 2.40 2.74 -45.51 4 3 1 51 314.247 3
Hi High (pH 8-9.5) 2.40 5.32 -46.96 3 3 0 54 313.239 3
Hi High (pH 8-9.5) 2.40 3.51 -60.84 3 3 0 54 313.239 3
Mid Mid (pH 6-8) 2.40 5.44 -129.1 4 3 1 55 314.247 3

Activity (Go SEA)

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