UCSF

ZINC34968248

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 4.16 8.08 -12.15 2 7 0 74 493.435 9
Mid Mid (pH 6-8) 4.16 10.34 -47.92 3 7 1 75 494.443 9

Activity (Go SEA)

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