UCSF

ZINC34891248

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 27 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) 2.12 5.66 -15.38 2 8 0 95 376.457 12
Lo Low (pH 4.5-6) 2.12 6.13 -33.62 3 8 1 96 377.465 12

Activity (Go SEA)

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