UCSF

ZINC39315101

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 1.93 5.55 -43.33 3 8 1 84 389.476 7
Mid Mid (pH 6-8) 1.93 3.27 -9.25 2 8 0 83 388.468 7
Mid Mid (pH 6-8) 1.93 5.59 -43.27 3 8 1 84 389.476 7

Activity (Go SEA)

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