UCSF

ZINC31885214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 No

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) 2.28 6.51 -7.83 0 2 0 18 204.298 2
Hi High (pH 8-9.5) 2.28 6.99 -48.44 0 2 -1 18 203.29 2

Activity (Go SEA)

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