UCSF

ZINC34568729

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 2.82 4.1 -9.76 3 4 0 76 287.702 1
Hi High (pH 8-9.5) 2.82 4.88 -44.84 2 4 -1 79 286.694 1

Activity (Go SEA)

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