UCSF

ZINC41669734

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 5.25 8.72 -14.82 0 6 0 61 492.325 3
Lo Low (pH 4.5-6) 5.25 11.59 -63.52 1 6 1 62 493.333 3

Activity (Go SEA)

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