UCSF

ZINC19685384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 0.74 4.54 -51.55 2 5 1 43 307.393 3
Hi High (pH 8-9.5) 0.74 2.08 -9.72 1 5 0 39 306.385 3
Mid Mid (pH 6-8) 0.74 5.68 -108.92 3 5 2 45 308.401 3

Activity (Go SEA)

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