UCSF

ZINC62154047

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 33 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) -1.69 7.14 -125.01 6 12 -2 216 459.459 12
Lo Low (pH 4.5-6) -1.69 5.1 -70.96 7 12 -1 214 460.467 12

Activity (Go SEA)

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