UCSF

ZINC32117088

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 14 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) 2.05 5.14 -30.75 0 4 -1 64 203.612 1
Mid Mid (pH 6-8) 2.05 5.27 -9.31 1 4 0 65 204.62 1

Activity (Go SEA)

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