UCSF

ZINC31555273

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 3.33 6.49 -5.05 1 3 0 27 296.414 4
Mid Mid (pH 6-8) 3.33 8.48 -36.18 2 3 1 28 297.422 4

Activity (Go SEA)

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