UCSF

ZINC41664131

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 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) 4.65 10.23 -21.6 0 9 0 101 511.486 4
Lo Low (pH 4.5-6) 4.65 13.08 -59.34 1 9 1 102 512.494 4

Activity (Go SEA)

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