UCSF

ZINC34689904

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 36 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) 4.26 10.47 -13.72 2 7 0 74 492.664 9
Mid Mid (pH 6-8) 4.26 12.75 -52.76 3 7 1 75 493.672 9

Activity (Go SEA)

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