UCSF

ZINC36634542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 1.22 4.65 -22.48 0 10 0 97 386.412 6
Mid Mid (pH 6-8) 1.22 6.93 -64.92 1 10 1 98 387.42 6

Activity (Go SEA)

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