UCSF

ZINC32141019

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 0.33 3.54 -58.62 3 6 1 80 289.311 4
Mid Mid (pH 6-8) 0.33 3.15 -16 2 6 0 78 288.303 4

Activity (Go SEA)

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