UCSF

ZINC31959763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.15 4.96 -56.5 4 4 1 70 276.385 4
Hi High (pH 8-9.5) 2.71 3.73 -8.39 3 4 0 71 275.377 3
Mid Mid (pH 6-8) 1.97 3.89 -46.58 3 4 0 76 275.377 4

Activity (Go SEA)

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