UCSF

ZINC25337579

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 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) 2.81 2.97 -15.72 1 7 0 73 458.559 4
Mid Mid (pH 6-8) 2.81 5.17 -55.08 2 7 1 74 459.567 4

Activity (Go SEA)

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