UCSF

ZINC34961315

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 0.97 4.1 -54.5 3 5 0 86 299.124 4
Mid Mid (pH 6-8) 0.97 2.83 -46.78 2 5 -1 81 298.116 4

Activity (Go SEA)

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