UCSF

ZINC34984194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 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) 3.86 7.52 -53.1 3 7 1 81 473.634 7
Hi High (pH 8-9.5) 3.86 5.7 -9.89 2 7 0 80 472.626 7
Mid Mid (pH 6-8) 3.86 8.1 -100.33 4 7 2 86 474.642 7

Activity (Go SEA)

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