UCSF

ZINC08951461

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 29 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) 5.52 11.17 -17.02 2 6 0 68 449.001 4
Hi High (pH 8-9.5) 5.52 11.8 -47.02 1 6 -1 71 447.993 4

Activity (Go SEA)

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