UCSF

ZINC31909437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.91 11.2 -42.62 3 4 1 48 323.464 6
Mid Mid (pH 6-8) 3.91 9.74 -11.04 2 4 0 47 322.456 6
Lo Low (pH 4.5-6) 3.91 11.62 -88.93 4 4 2 49 324.472 6

Activity (Go SEA)

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