UCSF

ZINC21212867

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 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) 3.05 10.04 -52.6 2 6 1 64 368.505 8
Hi High (pH 8-9.5) 3.05 7.82 -17.44 1 6 0 63 367.497 8

Activity (Go SEA)

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