UCSF

ZINC31946720

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 1.70 6.33 -57.7 3 5 1 66 336.481 4
Mid Mid (pH 6-8) 1.70 4.96 -11.57 2 5 0 61 335.473 4

Activity (Go SEA)

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