UCSF

ZINC37108954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 23 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 8.19 -8.63 0 4 0 36 329.831 3
Lo Low (pH 4.5-6) 2.91 10.08 -43.12 1 4 1 38 330.839 3

Activity (Go SEA)

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