UCSF

ZINC08951418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 30 No

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) 5.53 11.5 -17.26 2 6 0 68 481.068 5
Hi High (pH 8-9.5) 5.53 12.13 -40.02 1 6 -1 71 480.06 5

Activity (Go SEA)

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