UCSF

ZINC31997260

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 2.29 5.95 -48.04 3 3 1 40 297.422 5
Lo Low (pH 4.5-6) 2.29 8.21 -90.82 4 3 2 41 298.43 5

Activity (Go SEA)

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