UCSF

ZINC14999270

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 34 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) 4.42 9.16 -14.22 2 7 0 81 454.53 8
Lo Low (pH 4.5-6) 4.42 11.09 -143.11 4 7 2 87 456.546 8
Lo Low (pH 4.5-6) 4.42 9.97 -41.79 3 7 1 83 455.538 8

Activity (Go SEA)

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