UCSF

ZINC37999651

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 13 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) -1.62 -2.82 -63.98 4 5 1 94 207.275 4
Hi High (pH 8-9.5) -1.62 -4.13 -18.74 3 5 0 89 206.267 4

Activity (Go SEA)

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