UCSF

ZINC36637251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 0.88 2.42 -19.44 2 10 0 116 449.512 8
Mid Mid (pH 6-8) 0.88 4.74 -57.05 3 10 1 117 450.52 8

Activity (Go SEA)

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