UCSF

ZINC06349149

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 27 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) 5.04 9.67 -16.4 1 5 0 79 398.871 4
Hi High (pH 8-9.5) 5.50 7.88 -59.41 0 5 -1 82 397.863 4

Activity (Go SEA)

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