UCSF

ZINC33889880

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 34 No

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) 0.51 10.62 -53.57 1 8 -1 123 460.51 9
Lo Low (pH 4.5-6) 0.51 11.13 -36.35 2 8 0 127 461.518 9

Activity (Go SEA)

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