UCSF

ZINC35640937

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 28 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) 3.95 7.19 -9.38 1 7 0 71 428.316 6
Lo Low (pH 4.5-6) 3.95 8.91 -47.5 2 7 1 72 429.324 6

Activity (Go SEA)

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