UCSF

ZINC08209071

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 24 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) 5.47 8.43 -7.67 1 4 0 54 362.813 3
Hi High (pH 8-9.5) 5.92 6.23 -42.55 0 4 -1 58 361.805 3
Hi High (pH 8-9.5) 5.92 6.9 -41.11 0 4 -1 58 361.805 3

Activity (Go SEA)

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