UCSF

ZINC29149844

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 30 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) 4.05 10.14 -14.2 1 9 0 123 427.438 8
Hi High (pH 8-9.5) 4.11 9.23 -40.52 0 9 -1 130 426.43 8

Activity (Go SEA)

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