UCSF

ZINC33580174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 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) 1.68 10.01 -41.67 2 7 0 103 428.529 6
Hi High (pH 8-9.5) 1.68 9.17 -50.33 1 7 -1 99 427.521 6

Activity (Go SEA)

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