UCSF

ZINC05488827

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 26 Yes

Other Names:

MFCD04065991

Download: MOL2 SDF SMILES Flexibase

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) 5.56 8.4 -11.8 1 4 0 60 384.737 3
Hi High (pH 8-9.5) 5.56 9.19 -34.96 0 4 -1 63 383.729 3

Activity (Go SEA)

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