UCSF

ZINC36158710

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 4.64 11.79 -54.77 3 5 1 70 440.633 9
Hi High (pH 8-9.5) 5.10 9.26 -43.71 2 5 0 74 439.625 9

Activity (Go SEA)

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