UCSF

ZINC34973058

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.14 8.18 -10.15 2 6 0 68 418.541 6
Mid Mid (pH 6-8) 3.14 10.4 -48.02 3 6 1 70 419.549 6

Activity (Go SEA)

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