UCSF

ZINC34568651

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 38 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) 8.15 17.73 -32.22 3 5 1 59 500.622 11
Hi High (pH 8-9.5) 8.03 19.18 -10.87 2 5 0 60 499.614 10

Activity (Go SEA)

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