UCSF

ZINC31965982

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 0.29 3.03 -57.9 2 7 -1 103 280.304 9
Lo Low (pH 4.5-6) 0.29 1.91 -18.57 3 7 0 101 281.312 9

Activity (Go SEA)

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