UCSF

ZINC32086352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.11 6.18 -46.43 2 4 1 40 322.86 3
Hi High (pH 8-9.5) 2.11 4.27 -5.85 1 4 0 36 321.852 3
Mid Mid (pH 6-8) 2.11 7.96 -89.25 3 4 2 41 323.868 3

Activity (Go SEA)

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