UCSF

ZINC12410808

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 28 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) 5.01 10.67 -12.88 1 5 0 75 395.528 8
Lo Low (pH 4.5-6) 5.01 10.88 -46.34 2 5 1 76 396.536 8

Activity (Go SEA)

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