UCSF

ZINC00697759

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 2.31 8.56 -24.89 1 8 0 92 476.574 7
Hi High (pH 8-9.5) 2.13 7.27 -59.91 0 8 -1 98 475.566 7

Activity (Go SEA)

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