UCSF

ZINC36545247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 6.31 8.99 -13.09 3 7 0 103 499.007 8
Hi High (pH 8-9.5) 6.31 11.39 -55.79 2 7 -1 106 497.999 8

Activity (Go SEA)

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