UCSF

ZINC34860604

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 2.70 9.07 -28.4 1 7 0 91 459.612 5
Mid Mid (pH 6-8) 4.00 8.28 -55.21 0 7 -1 94 458.604 5

Activity (Go SEA)

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