UCSF

ZINC34580822

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 5.92 9.06 -18.95 2 4 0 66 345.826 7
Hi High (pH 8-9.5) 5.92 10.07 -66.16 1 4 -1 69 344.818 7

Activity (Go SEA)

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