UCSF

ZINC34615737

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 0.50 2.48 -9.82 1 4 0 49 204.229 1
Lo Low (pH 4.5-6) 0.50 4.62 -47.12 2 4 1 54 205.237 1

Activity (Go SEA)

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