UCSF

ZINC34950325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 5.53 14.51 -53.15 1 6 1 60 523.719 11
Hi High (pH 8-9.5) 5.53 12.07 -12.63 0 6 0 59 522.711 11

Activity (Go SEA)

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