UCSF

ZINC60001611

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 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) 2.91 6.41 -5.14 4 4 0 71 302.418 5
Lo Low (pH 4.5-6) 2.91 6.27 -43.82 5 4 1 72 303.426 5

Activity (Go SEA)

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