UCSF

ZINC09354794

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 31 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 -2.94 -13.11 2 6 0 99 451.573 5
Hi High (pH 8-9.5) 4.64 -2.51 -48.54 1 6 -1 101 450.565 5

Activity (Go SEA)

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