UCSF

ZINC39767190

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 3.13 9.53 -20.82 1 7 0 86 388.522 6
Hi High (pH 8-9.5) 3.31 8.31 -52.7 0 7 -1 92 387.514 6

Activity (Go SEA)

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