UCSF

ZINC35518681

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 28 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) 1.06 7.23 -19.47 0 7 0 68 402.52 4
Mid Mid (pH 6-8) 1.06 9.5 -57.47 1 7 1 69 403.528 4

Activity (Go SEA)

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