UCSF

ZINC36227369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.60 9.62 -35.31 1 8 0 100 497.617 6
Hi High (pH 8-9.5) 3.90 8.18 -60.16 0 8 -1 103 496.609 6

Activity (Go SEA)

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