UCSF

ZINC35837327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 32 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) 4.06 14.89 -13.28 0 6 0 53 441.526 3
Lo Low (pH 4.5-6) 4.06 15.18 -33.31 1 6 1 54 442.534 3
Lo Low (pH 4.5-6) 4.06 15.16 -35.22 1 6 1 54 442.534 3

Activity (Go SEA)

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