UCSF

ZINC06391058

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 14 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) 2.38 5.81 -30.99 2 2 1 29 191.298 1
Lo Low (pH 4.5-6) 2.38 4.82 -27.12 2 2 1 26 191.298 1

Activity (Go SEA)

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