UCSF

ZINC34449346

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 23 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) 4.03 9.62 -9.86 0 3 0 33 306.409 5
Lo Low (pH 4.5-6) 4.03 10.48 -29.35 1 3 1 34 307.417 5

Activity (Go SEA)

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