UCSF

ZINC05934377

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 30 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) 1.59 13.53 -66.6 0 6 -1 69 406.437 4
Mid Mid (pH 6-8) 1.59 11.52 -15.7 1 6 0 66 407.445 4
Lo Low (pH 4.5-6) -1.15 11.52 -32.4 1 6 0 72 407.445 3

Activity (Go SEA)

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