UCSF

ZINC35430266

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 23 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) 0.94 5.95 -15.64 1 6 0 76 326.381 3
Lo Low (pH 4.5-6) 0.94 6.84 -77.38 3 6 2 79 328.397 3
Lo Low (pH 4.5-6) 0.94 6.44 -41.41 2 6 1 78 327.389 3

Activity (Go SEA)

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