UCSF

ZINC35553201

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 33 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) 5.21 14.6 -42.17 1 5 1 37 464.703 7
Hi High (pH 8-9.5) 5.21 12.12 -6.48 0 5 0 35 463.695 7
Lo Low (pH 4.5-6) 5.21 16.83 -126.69 2 5 2 38 465.711 7

Activity (Go SEA)

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