UCSF

ZINC34616563

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 No

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) 0.89 8.46 -51.18 1 6 1 54 380.465 4
Mid Mid (pH 6-8) 0.89 6.1 -14.57 0 6 0 53 379.457 4

Activity (Go SEA)

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