UCSF

ZINC31992840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 No

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) 0.16 2.61 -6.62 2 4 0 63 210.277 1
Mid Mid (pH 6-8) 0.16 2.93 -54.7 3 4 1 65 211.285 1

Activity (Go SEA)

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