UCSF

ZINC09448477

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 29 Yes

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) 4.64 11.85 -16.81 1 6 0 73 425.514 7
Hi High (pH 8-9.5) 4.82 10.43 -47.71 0 6 -1 79 424.506 7

Activity (Go SEA)

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