UCSF

ZINC31255518

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 23 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) 3.75 6.28 -16.11 2 5 0 75 310.353 3
Mid Mid (pH 6-8) 4.21 4.53 -57.32 1 5 -1 78 309.345 3

Activity (Go SEA)

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