UCSF

ZINC32178301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.72 4.74 -5.24 1 4 0 37 297.402 6
Mid Mid (pH 6-8) 1.72 6.12 -47.19 2 4 1 42 298.41 6

Activity (Go SEA)

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