UCSF

ZINC34568572

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 6.02 11.04 -44.42 3 4 1 54 458.603 5
Hi High (pH 8-9.5) 6.02 8.84 -11.98 2 4 0 53 457.595 5

Activity (Go SEA)

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