UCSF

ZINC34873429

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 35 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) 2.56 9.54 -131.08 4 8 1 107 501.673 15
Hi High (pH 8-9.5) 2.56 8.19 -78.03 3 8 0 102 500.665 15

Activity (Go SEA)

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