UCSF

ZINC25892080

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 31 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) 3.65 6.22 -54.1 1 8 -1 105 434.398 8
Lo Low (pH 4.5-6) 3.20 7.02 -22 2 8 0 102 435.406 8

Activity (Go SEA)

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