UCSF

ZINC10249062

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 32 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) 3.20 -4.11 -13.07 1 9 0 101 457.604 6
Mid Mid (pH 6-8) 3.20 -3.86 -41.36 2 9 1 102 458.612 6

Activity (Go SEA)

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