UCSF

ZINC03957938

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 22 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) 4.61 10.15 -51.26 0 3 -1 53 287.294 1
Mid Mid (pH 6-8) 4.61 8.95 -18.85 1 3 0 50 288.302 1
Mid Mid (pH 6-8) 4.61 9.56 -12.23 1 3 0 50 288.302 1

Activity (Go SEA)

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