UCSF

ZINC00740025

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 4.31 10.41 -9.41 2 6 0 65 460.553 6
Lo Low (pH 4.5-6) 4.31 12.2 -45.72 3 6 1 66 461.561 6

Activity (Go SEA)

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