UCSF

ZINC35744351

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 30 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) 2.78 7.5 -15.8 2 6 0 82 421.522 7
Lo Low (pH 4.5-6) 2.78 10.15 -53.88 3 6 1 84 422.53 7

Activity (Go SEA)

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