UCSF

ZINC31960840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.53 4.2 -50.83 5 5 1 82 305.789 5
Mid Mid (pH 6-8) 1.53 3.88 -17.06 4 5 0 80 304.781 5

Activity (Go SEA)

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