UCSF

ZINC52893535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 26 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) 2.56 9.19 -14.67 1 6 0 73 367.478 7
Lo Low (pH 4.5-6) 2.56 9.65 -45.88 2 6 1 74 368.486 7

Activity (Go SEA)

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