UCSF

ZINC00740868

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 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) 4.73 11.7 -16.01 1 5 0 62 472.408 7
Hi High (pH 8-9.5) 4.55 10.64 -39.96 0 5 -1 69 471.4 7

Activity (Go SEA)

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