UCSF

ZINC00701702

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 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) 3.00 9.13 -15.23 0 5 0 46 443.519 7
Mid Mid (pH 6-8) 3.00 11.41 -58.78 1 5 1 47 444.527 7

Activity (Go SEA)

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