UCSF

ZINC32068216

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 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 7.29 -5.16 2 3 0 42 305.425 6
Mid Mid (pH 6-8) 2.40 9.35 -143.42 4 3 2 45 307.441 6
Mid Mid (pH 6-8) 2.40 7.63 -104.37 4 3 2 45 307.441 6

Activity (Go SEA)

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