UCSF

ZINC34977488

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 3.01 5.6 -11.79 3 8 0 90 449.555 7
Mid Mid (pH 6-8) 3.01 7.81 -50.36 4 8 1 91 450.563 7

Activity (Go SEA)

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