UCSF

ZINC32121310

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 2.22 6.99 -43.12 3 3 1 48 275.759 4
Mid Mid (pH 6-8) 2.22 6.61 -8.08 2 3 0 46 274.751 4

Activity (Go SEA)

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