UCSF

ZINC31721859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 26 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) 0.90 2.07 -21.14 4 8 0 128 370.39 3
Mid Mid (pH 6-8) 0.90 2.14 -48.3 3 8 -1 130 369.382 3

Activity (Go SEA)

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