UCSF

ZINC31962074

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 0.00 2.9 -55.38 4 8 1 102 328.4 4
Mid Mid (pH 6-8) 0.00 2.58 -17.53 3 8 0 100 327.392 4

Activity (Go SEA)

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