UCSF

ZINC32632796

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 24 Yes

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) 1.39 4.47 -25.68 2 8 0 98 326.312 2
Lo Low (pH 4.5-6) 1.85 2.22 -22.68 2 8 0 99 326.312 2

Activity (Go SEA)

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