UCSF

ZINC41666468

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.08 5.84 -22.88 0 8 0 103 435.498 6
Lo Low (pH 4.5-6) 2.08 8.64 -68.26 1 8 1 104 436.506 6

Activity (Go SEA)

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